All Stories

  1. Evaluation of complicated molecular properties by means of a quantum mechanical manner

    Article • International Journal of Quantum Chemistry, February 2018, Wiley

    Professor Ramon Carbó-Dorca

  2. Atomic thermal voltage population distributions

    Article • Journal of Mathematical Chemistry, February 2018, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  3. Thermal scaling of electronic energy expressions

    Article • Journal of Mathematical Chemistry, January 2018, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  4. Boolean Hypercubes as time representation holders

    Article • Journal of Mathematical Chemistry, January 2018, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  5. DNA, unnatural base pairs and hypercubes

    Article • Journal of Mathematical Chemistry, January 2018, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  6. Refinement of a generalized Fermat’s last theorem conjecture in natural vector spaces

    Article • Journal of Mathematical Chemistry, June 2017, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  7. Natural Vector Spaces (inward power and Minkowski norm of a Natural Vector, Natural Boolean Hypercubes) and a Fermat’s Last Theorem conjecture

    Article • Journal of Mathematical Chemistry, November 2016, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  8. A theorem on the Gram matrix of a polyhedron

    Article • Journal of Mathematical Chemistry, July 2016, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  9. Communications on quantum similarity (4): collective distances computed by means of similarity matrices, as generators of intrinsic ordering among quantum multimolecular polyhedra

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, August 2015, Wiley

    Professor Ramon Carbó-Dorca

  10. Aromaticity, quantum multimolecular polyhedra, and quantum QSPR fundamental equation

    Article • Journal of Computational Chemistry, August 2015, Wiley

    Professor Ramon Carbó-Dorca

  11. An isometric representation problem in quantum multimolecular polyhedra and similarity: (2) synisometry

    Article • Journal of Mathematical Chemistry, June 2015, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  12. Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation

    Article • Journal of Mathematical Chemistry, June 2015, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  13. An isometric representation problem in quantum multimolecular polyhedra and similarity

    Article • Journal of Mathematical Chemistry, May 2015, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  14. Scientists discuss about the application of topological methods to chemistry

    Article • Computational and Theoretical Chemistry, February 2015, Elsevier

    Prof. Piero Macchi, Professor Vladimir G Tsirelson, Professor Paul Popelier, Dr Carlo Gatti, Professor Ramon Carbó-Dorca, Professor Ángel Martín Pendás, Michel Caffarel, Prof. Dr. Miquel Solà

  15. Coulomb repulsion, point-like nuclear charges, Dirac paradox, soft nuclear charge density and hypermultiplet nuclear repulsion

    Article • Journal of Mathematical Chemistry, November 2014, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  16. Quantum polyhedra, definitions, statistics and the construction of a collective quantum similarity index

    Article • Journal of Mathematical Chemistry, October 2014, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  17. A postulate involving quantum mechanical momentum in position space, density function expression of the kinetic energy and Heisenberg’s uncertainty relation

    Article • Journal of Mathematical Chemistry, May 2014, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  18. Multimolecular polyhedra and QSPR

    Article • Journal of Mathematical Chemistry, April 2014, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  19. Triple Density Quantum Similarity Measures and the Tensorial Representation of Molecular Quantum Object Sets

    Article • September 2013, Taylor & Francis

    Professor Ramon Carbó-Dorca

  20. On density function coordinate matrix

    Article • Journal of Mathematical Chemistry, May 2013, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  21. Completely soft molecular electrostatic potentials (CoSMEP) and total density functions

    Article • Journal of Mathematical Chemistry, April 2013, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  22. Particle coordinates and discrete molecular description: a geometric point of view on a twofold dimensionality environment

    Article • Journal of Mathematical Chemistry, March 2013, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  23. Variational principle, Hohenberg–Kohn theorem, and density function origin shifts

    Article • Journal of Mathematical Chemistry, February 2013, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  24. Softened electrostatic molecular potentials

    Article • Journal of Molecular Graphics and Modelling, February 2013, Elsevier

    Professor Ramon Carbó-Dorca

  25. Enfolded conformational spaces: definition of the chemical quantum mechanical multiverse under Born–Oppenheimer approximation

    Article • Journal of Mathematical Chemistry, January 2013, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  26. Notes on quantitative structure-property relationships (QSPR), part 3: Density functions origin shift as a source of quantum QSPR algorithms in molecular spaces

    Article • Journal of Computational Chemistry, December 2012, Wiley

    Professor Ramon Carbó-Dorca

  27. A naïve geometrical perspective of Fukui functions: definition of Fukui function skew symmetric matrices described on density function sets

    Article • Journal of Mathematical Chemistry, December 2012, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  28. Simple comparison of atomic population and shape atomic populations distributions between two molecular structures with a coherent number of atoms

    Article • Journal of Mathematical Chemistry, November 2012, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  29. Function extended spaces

    Article • Journal of Mathematical Chemistry, November 2012, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  30. Position-momentum Heisenberg uncertainty in Gaussian enfoldments of Euclidian space

    Article • Journal of Mathematical Chemistry, September 2012, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  31. About the concept of Chemical Space: a concerned reflection on some trends of modern scientific thought within theoretical chemical lore

    Article • Journal of Mathematical Chemistry, September 2012, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  32. EMP as a similarity measure: a geometric point of view

    Article • Journal of Mathematical Chemistry, September 2012, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  33. Collective Euclidian distances and quantum similarity

    Article • Journal of Mathematical Chemistry, September 2012, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  34. Mathematical aspects of the LCAO MO first order density function (5): centroid shifting of MO shape functions basis set, properties and applications

    Article • Journal of Mathematical Chemistry, September 2012, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  35. Quantum similarity matrices column set as holograms of DF molecular point clouds

    Article • Journal of Mathematical Chemistry, June 2012, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  36. Unsuspected Visceral Leishmaniasis Infiltrating a Squamous Cell Carcinoma

    Article • Actas Dermo-Sifiliográficas (English Edition), May 2012, Elsevier

    Professor Ramon Carbó-Dorca

  37. Stereographic Projection of Density Functions (DF) and the Holographic Electronic Density Theorem (HEDT)

    Article • Journal of Chemical Theory and Computation, March 2012, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  38. Spiked Gold Beads as Substrates for Single‐Particle SERS

    Article • ChemPhysChem, February 2012, Wiley

    Luis Liz-Marzán, Professor Ramon Alvarez-Puebla, Professor Ramon Carbó-Dorca

  39. Density gradient quantum similarity

    Article • January 2012, American Institute of Physics

    Professor Ramon Carbó-Dorca

  40. Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons

    Article • Journal of Mathematical Chemistry, December 2011, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  41. On the nature of atomic shell approximation (ASA) electrostatic molecular potentials (EMP)

    Article • Journal of Mathematical Chemistry, November 2011, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  42. Symmetrical overlap transformations of function basis sets: the LCAO MO and quantum similarity practical cases

    Article • Journal of Mathematical Chemistry, October 2011, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  43. Scaled Euclidian distances: a general dissimilarity index with a suitably defined geometrical foundation

    Article • Journal of Mathematical Chemistry, October 2011, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  44. Construction of coherent nano quantitative structure–properties relationships (nano-QSPR) models and catastrophe theory

    Article • SAR and QSAR in Environmental Research, October 2011, Taylor & Francis

    Professor Ramon Carbó-Dorca

  45. Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces

    Article • Journal of Mathematical Chemistry, September 2011, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  46. Geometry of n-dimensional Euclidean space Gaussian enfoldments

    Article • Journal of Mathematical Chemistry, July 2011, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  47. Quantum similarity, volume functions and generalized Carbó indices

    Article • Journal of Mathematical Chemistry, July 2011, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  48. n-Dimensional Euclidean space Gaussian enfoldment

    Article • Journal of Mathematical Chemistry, July 2011, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  49. Quantum similarity and discrete representation of molecular sets

    Article • Journal of Mathematical Chemistry, June 2011, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  50. The general Gaussian product theorem

    Article • Journal of Mathematical Chemistry, June 2011, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  51. The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Professor Ramon Carbó-Dorca

  52. Logical Kronecker delta deconstruction of the absolute value function and the treatment of absolute deviations

    Article • Journal of Mathematical Chemistry, December 2010, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  53. Mathematical aspects of the LCAO MO first order density function (4): a discussion on the connection of Taylor series expansion of electronic density (TSED) function with the holographic electron density theorem (HEDT) and the Hohenberg-Kohn theorem (HKT)

    Article • Journal of Mathematical Chemistry, December 2010, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  54. The relationship between the eigenvalues and eigenvectors of a similarity matrix and its associated Carbó index matrix

    Article • Journal of Mathematical Chemistry, October 2010, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  55. Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm

    Article • Journal of Computational Chemistry, September 2010, Wiley

    Professor Ramon Carbó-Dorca

  56. A Gaussian holographic theorem and the projection of electronic density functions into the surface of a sphere

    Article • Journal of Mathematical Chemistry, August 2010, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  57. ChemInform Abstract: Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures.

    Article • ChemInform, May 2010, Wiley

    Professor Ramon Carbó-Dorca

  58. ChemInform Abstract: Molecular Quantum Similarity and the Fundamentals of QSAR

    Article • ChemInform, May 2010, Wiley

    Professor Ramon Carbó-Dorca

  59. ChemInform Abstract: Modeling Large Macromolecular Structures Using Promolecular Densities.

    Article • ChemInform, May 2010, Wiley

    Professor Ramon Carbó-Dorca

  60. ChemInform Abstract: Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets.

    Article • ChemInform, May 2010, Wiley

    Professor Ramon Carbó-Dorca

  61. Commentaries on quantum similarity (1): Density gradient quantum similarity

    Article • Journal of Computational Chemistry, March 2010, Wiley

    Professor Ramon Carbó-Dorca

  62. LCAO MO first order density functions: Partition in monocentric and bicentric terms, reciprocal MO spaces, invariant transformations and Euclidian atomic populations

    Article • Journal of Molecular Structure THEOCHEM, March 2010, Elsevier

    Professor Ramon Carbó-Dorca

  63. Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures

    Article • Journal of Computational Chemistry, January 2010, Wiley

    Professor Ramon Carbó-Dorca

  64. Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor

    Article • Journal of Computational Chemistry, October 2009, Wiley

    Professor Ramon Carbó-Dorca

  65. A monodimensional scientific performance measure: the h index, can be substituted by simple multidimensional descriptors?

    Article • Journal of Mathematical Chemistry, July 2009, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  66. Definition of norm coherent generalized scalar products and quantum similarity

    Article • Journal of Mathematical Chemistry, July 2009, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  67. Notes on quantitative structure-properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution

    Article • Journal of Computational Chemistry, May 2009, Wiley

    Professor Ramon Carbó-Dorca

  68. Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine

    Article • Journal of Computational Chemistry, January 2009, Wiley

    Professor Ramon Carbó-Dorca, Prof. Dr. Miquel Solà

  69. Quantum Similarity and Quantum Quantitative Structure-Properties Relationships (QQSPR)

    Article • January 2009, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  70. Expectation value averages of size consistent hermitian operators and the definition of Fukui functions

    Article • International Journal of Quantum Chemistry, December 2008, Wiley

    Professor Ramon Carbó-Dorca

  71. Diagonal coefficient representation of density functions and quantum similarity measures

    Article • Journal of Mathematical Chemistry, September 2008, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  72. Molecular quantum similarity measures in Minkowski metric vector semispaces

    Article • Journal of Mathematical Chemistry, September 2008, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  73. A new insight on the quantum quantitative structure-properties relationships

    Article • International Journal of Quantum Chemistry, January 2008, Wiley

    Professor Ramon Carbó-Dorca

  74. Smooth function topological structure descriptors based on graph-spectra

    Article • Journal of Mathematical Chemistry, November 2007, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  75. Riemannian three dimensional molecular spaces

    Article • Journal of Mathematical Chemistry, November 2007, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  76. A quantum similarity matrix (QSM) Aufbau procedure

    Article • Journal of Mathematical Chemistry, September 2007, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  77. Critical thoughts on computing atom condensed Fukui functions

    Article • The Journal of Chemical Physics, July 2007, American Institute of Physics

    Professor Ramon Carbó-Dorca

  78. Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure

    Article • Journal of Mathematical Chemistry, July 2007, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  79. Mathematical aspects of the LCAO MO first order density function (2): Relationships between density functions

    Article • Journal of Mathematical Chemistry, July 2007, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  80. Mathematical aspects of the LCAO MO first order density function (1): atomic partition, metric structure and practical applications

    Article • Journal of Mathematical Chemistry, July 2007, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  81. Solutions to the Quantum QSPR problem in molecular spaces

    Article • Theoretical Chemistry Accounts, June 2007, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  82. About the prediction of molecular properties using the fundamental Quantum QSPR (QQSPR) equation†

    Article • SAR and QSAR in Environmental Research, May 2007, Taylor & Francis

    Professor Ramon Carbó-Dorca

  83. Critical analysis and extension of the Hirshfeld atoms in molecules

    Article • The Journal of Chemical Physics, April 2007, American Institute of Physics

    Professor Ramon Carbó-Dorca

  84. Comment on “Chemoselectives in Acetalization, Thioacetalization, Oxathioacetalization and Azathioacetalization”

    Article • The Journal of Physical Chemistry A, April 2007, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  85. Unrevealed structural requirements for auxin-like molecules by theoretical and experimental evidences

    Article • Phytochemistry, January 2007, Elsevier

    Professor Ramon Carbó-Dorca

  86. Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure—Function Relationships for Auxin-Like Molecules.

    Article • ChemInform, October 2006, Wiley

    Professor Ramon Carbó-Dorca

  87. Select-divide-and-conquer method for large-scale configuration interaction

    Article • The Journal of Chemical Physics, July 2006, American Institute of Physics

    Professor Ramon Carbó-Dorca

  88. Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM)

    Article • Journal of Chemical Information and Computer Sciences, July 2006, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  89. Modelling Toxicity using Molecular Quantum Similarity Measures

    Article • QSAR & Combinatorial Science, July 2006, Wiley

    Professor Ramon Carbó-Dorca

  90. Coulomb and Overlap Self-Similarities:  A Comparative Selectivity Analysis of Structure−Function Relationships for Auxin−like Molecules

    Article • Journal of Chemical Information and Computer Sciences, July 2006, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  91. Electron Delocalization and Aromaticity in Linear Polyacenes:  Atoms in Molecules Multicenter Delocalization Index

    Article • The Journal of Physical Chemistry A, June 2006, American Chemical Society (ACS)

    Professor Paul Popelier, Professor Ramon Carbó-Dorca

  92. On Einstein–Podolsky–Rosen Paradox

    Article • Journal of Mathematical Chemistry, March 2006, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  93. Descriptors and Probability Distributions in MO Theory: Weighted Mulliken Matrices and Molecular Quantum Similarity Measures

    Article • Journal of Mathematical Chemistry, January 2006, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  94. Generation of Molecular Fields, Quantum Similarity Measures and Related Questions

    Article • Journal of Mathematical Chemistry, January 2006, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  95. Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach

    Article • Journal of Computational Chemistry, January 2006, Wiley

    Professor Ramon Carbó-Dorca

  96. A Discussion on the Einstein–Podolski–Rosen (EPR) Effect* in a Unique Wavefunction Quantum Mechanical Framework

    Article • Journal of Mathematical Chemistry, December 2005, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  97. Molecular Nuclear Fields: A Naïve Perspective

    Article • Journal of Mathematical Chemistry, November 2005, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  98. Molecular quantum similarity using conceptual DFT descriptors

    Article • Journal of Chemical Sciences, September 2005, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  99. Ramon Carbó-Dorca i Carré

    Article • Journal of Molecular Structure THEOCHEM, August 2005, Elsevier

    Professor Ramon Carbó-Dorca

  100. Deduction of Heisenberg relations and Schrödinger equation through the structure of N -dimensional parameterized metric vector spaces

    Article • Journal of Mathematical Chemistry, July 2005, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  101. Geometric and electronic similarities between transition structures for electrocyclizations and sigmatropic hydrogen shifts

    Article • Theoretical Chemistry Accounts, February 2005, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  102. Maximal probability domains in linear molecules

    Article • Journal of Computational Chemistry, February 2005, Wiley

    Professor Ramon Carbó-Dorca

  103. Molecular Quantum Similarity: Theory and Applications

    Article • January 2005, Wiley

    Professor Ramon Carbó-Dorca

  104. Mathematical Elements of Quantum Electronic Density Functions

    Article • January 2005, Elsevier

    Professor Ramon Carbó-Dorca

  105. Foundation of quantum similarity measures and their relationship to QSPR: Density function structure, approximations, and application examples

    Article • International Journal of Quantum Chemistry, August 2004, Wiley

    Professor Ramon Carbó-Dorca

  106. Quantum Mechanical Basis for Mulliken Population Analysis

    Article • Journal of Mathematical Chemistry, July 2004, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  107. Non-linear Terms & Variational Approach in Quantum QSPR

    Article • Journal of Mathematical Chemistry, July 2004, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  108. A General Procedure to Obtain Quantum Mechanical Charge and Bond Order Molecular Parameters

    Article • Journal of Mathematical Chemistry, July 2004, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  109. A Mathematical Discussion on Density and Shape Functions, Vector Semispaces and Related Questions

    Article • Journal of Mathematical Chemistry, June 2004, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  110. Estimation of infinite dilution activity coefficients of organic compounds in water with neural classifiers

    Article • AIChE Journal, May 2004, Wiley

    Professor Ramon Carbó-Dorca

  111. Infinite-Dimensional Time Vectors as Background Building Blocks of a Space–Time Frame Structure

    Article • Journal of Mathematical Chemistry, May 2004, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  112. Heisenberg’s Relations in Discrete N-Dimensional Parameterized Metric Vector Spaces

    Article • Journal of Mathematical Chemistry, May 2004, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  113. Similarity approach to QSAR

    Article • International Journal of Pharmaceutics, January 2004, Elsevier

    Professor Ramon Carbó-Dorca

  114. Discussion on the variable Wolfsberg-Helmholtz parameter, a new simplified Löwdin transformation and the characteristic structure of the transformed EHT Hamiltonian matrices

    Article • International Journal of Quantum Chemistry, January 2004, Wiley

    Professor Ramon Carbó-Dorca

  115. Quantum Similarity and Quantitative Structure–Activity Relationships

    Article • December 2003, Taylor & Francis

    Professor Ramon Carbó-Dorca

  116. TGSA-Flex: Extending the capabilities of the Topo-Geometrical superposition algorithm to handle flexible molecules

    Article • Journal of Computational Chemistry, November 2003, Wiley

    Professor Ramon Carbó-Dorca

  117. Structure—property relationships and momentum space quantities: Hammett σ—constants

    Article • Molecular Physics, November 2003, Taylor & Francis

    Professor Ramon Carbó-Dorca

  118. Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures

    Article • Journal of Chemical Information and Computer Sciences, November 2003, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  119. Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity.

    Article • ChemInform, October 2003, Wiley

    Professor Ramon Carbó-Dorca

  120. Molecular Quantum Similarity Analysis of Estrogenic Activity.

    Article • ChemInform, September 2003, Wiley

    Professor Ramon Carbó-Dorca

  121. Chemical structures from the analysis of domain-averaged Fermi holes: Multiple metalmetal bonding in transition metal compounds

    Article • Journal of Computational Chemistry, September 2003, Wiley

    Professor Ramon Carbó-Dorca

  122. Quantum Similarity Superposition Algorithm (QSSA):  A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry

    Article • Journal of Chemical Information and Computer Sciences, July 2003, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  123. Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity

    Article • Journal of Chemical Information and Computer Sciences, July 2003, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  124. Molecular Quantum Similarity Analysis of Estrogenic Activity

    Article • Journal of Chemical Information and Computer Sciences, July 2003, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  125. Rational modelling of the voltage-dependent K+ channel inactivation by aminopyridines

    Article • Biophysical Chemistry, June 2003, Elsevier

    Professor Ramon Carbó-Dorca

  126. Negative Fukui functions: New insights based on electronegativity equalization

    Article • The Journal of Chemical Physics, March 2003, American Institute of Physics

    Professor Ramon Carbó-Dorca

  127. Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method

    Article • Journal of Chemical Information and Computer Sciences, March 2003, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  128. Article • Journal of Mathematical Chemistry, January 2003, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  129. Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms

    Article • Journal of Chemical Information and Computer Sciences, January 2003, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  130. Classification of reaction pathways via momentum–space and quantum molecular similarity measures

    Article • Chemical Physics Letters, January 2003, Elsevier

    Professor Ramon Carbó-Dorca

  131. Applications of inward matrix products and matrix wave functions to Hückel MO theory, Slater extended wave functions, spin extended functions, and Hartree method

    Article • International Journal of Quantum Chemistry, January 2003, Wiley

    Professor Ramon Carbó-Dorca

  132. Article • Journal of Mathematical Chemistry, January 2003, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  133. Article • Journal of Mathematical Chemistry, January 2003, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  134. DENSITY FUNCTIONS AND GENERATING WAVE FUNCTIONS

    Article • December 2002, World Scientific Pub Co Pte Lt

    Professor Ramon Carbó-Dorca

  135. Algebraic relationships between conceptual DFT quantities and the electronegativity equalization hardness matrix

    Article • Chemical Physics Letters, October 2002, Elsevier

    Professor Ramon Carbó-Dorca

  136. Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets

    Article • Journal of Chemical Information and Computer Sciences, September 2002, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  137. Modeling Large Macromolecular Structures Using Promolecular Densities

    Article • Journal of Chemical Information and Computer Sciences, July 2002, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  138. Molecular Quantum Similarity and the Fundamentals of QSAR

    Article • Accounts of Chemical Research, May 2002, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  139. Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series†

    Article • Journal of Chemical Information and Computer Sciences, May 2002, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  140. Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems

    Article • Journal of Chemical Information and Computer Sciences, March 2002, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  141. Article • Journal of Mathematical Chemistry, January 2002, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  142. Fundamental quantum QSAR (Q2SAR) equation: extensions, nonlinear terms, and generalizations within extended Hilbert-Sobolev spaces

    Article • International Journal of Quantum Chemistry, January 2002, Wiley

    Professor Ramon Carbó-Dorca

  143. Use of promolecular ASA density functions as a general algorithm to obtain starting MO in SCF calculations

    Article • International Journal of Quantum Chemistry, January 2002, Wiley

    Professor Ramon Carbó-Dorca

  144. Molecular Quantum Similarity Measures as Descriptors for Quantum QSAR

    Article • Polycyclic Aromatic Compounds, December 2001, Taylor & Francis

    Professor Ramon Carbó-Dorca

  145. Use of promolecular ASA density functions as a general algorithm to obtain starting MO in SCF calculations

    Article • International Journal of Quantum Chemistry, November 2001, Wiley

    Professor Ramon Carbó-Dorca

  146. Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures

    Article • Journal of Chemical Information and Computer Sciences, July 2001, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  147. Application of promolecular asa densities to graphical representation of density functions of macromolecular systems

    Article • Journal of Molecular Graphics and Modelling, June 2001, Elsevier

    Professor Ramon Carbó-Dorca

  148. Inward matrix products: extensions and applications to quantum mechanical foundations of QSAR

    Article • Journal of Molecular Structure THEOCHEM, March 2001, Elsevier

    Professor Ramon Carbó-Dorca

  149. ChemInform Abstract: Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR.

    Article • ChemInform, February 2001, Wiley

    Professor Ramon Carbó-Dorca

  150. TGSA: A molecular superposition program based on topo‐geometrical considerations

    Article • Journal of Computational Chemistry, January 2001, Wiley

    Professor Ramon Carbó-Dorca

  151. Article • Journal of Computer-Aided Molecular Design, January 2001, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  152. Article • Journal of Mathematical Chemistry, January 2001, Springer Science + Business Media

    Professor Ramon Carbó-Dorca, Dr. Vicente Soriano

  153. Article • Journal of Mathematical Chemistry, January 2001, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  154. Article • Journal of Mathematical Chemistry, January 2001, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  155. Erratum to “Icosahedral symmetry structures with open-shell electronic configuration hN (N=1–9)”

    Article • Physics Letters A, January 2001, Elsevier

    Professor Ramon Carbó-Dorca

  156. Article • Journal of Computer-Aided Molecular Design, January 2001, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  157. Fundamentals of Molecular Similarity

    Article • January 2001

    Professor Ramon Carbó-Dorca

  158. Quantum Molecular Similarity: Theory and Applications to the Evaluation of Molecular Properties, Biological Activities and Toxicity

    Article • January 2001, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  159. Modeling Antimalarial Activity:  Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR

    Article • Journal of Chemical Information and Computer Sciences, November 2000, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  160. Molecular Electronic Density Fitting Using Elementary Jacobi Rotations under Atomic Shell Approximation

    Article • Journal of Chemical Information and Computer Sciences, September 2000, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  161. Quantum mechanical origin of QSAR: theory and applications

    Article • Journal of Molecular Structure THEOCHEM, June 2000, Elsevier

    Professor Ramon Carbó-Dorca

  162. Quantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity:  A Molecular Quantum Similarity Study

    Article • Journal of Chemical Information and Computer Sciences, May 2000, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  163. Inward matrix products, generalised density functions and Rayleigh–Schrödinger perturbation theory

    Article • Journal of Molecular Structure THEOCHEM, April 2000, Elsevier

    Professor Ramon Carbó-Dorca

  164. Icosahedral symmetry structures with open-shell electronic configuration hN (N=1–9).

    Article • Physics Letters A, March 2000, Elsevier

    Professor Ramon Carbó-Dorca

  165. Article • Journal of Computer-Aided Molecular Design, January 2000, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  166. Stochastic transformation of quantum similarity matrices and their use in quantum QSAR (QQSAR) models

    Article • International Journal of Quantum Chemistry, January 2000, Wiley

    Professor Ramon Carbó-Dorca

  167. Quantum similarity QSAR: Study of inhibitors binding to thrombin, trypsin, and factor Xa, including a comparison with CoMFA and CoMSIA methods

    Article • International Journal of Quantum Chemistry, January 2000, Wiley

    Professor Ramon Carbó-Dorca

  168. Extended density functions

    Article • January 2000, Elsevier

    Professor Ramon Carbó-Dorca

  169. Introduction

    Article • January 2000, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  170. Molecular Quantum Similarity in QSAR and Drug Design

    Article • January 2000

    Professor Ramon Carbó-Dorca

  171. General trends in atomic and nuclear quantum similarity measures

    Article • International Journal of Quantum Chemistry, January 2000, Wiley

    Professor Ramon Carbó-Dorca

  172. Full molecular quantum similarity matrices as QSAR descriptors

    Article • January 2000, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  173. Application of Quantum Similarity to QSAR

    Article • January 2000, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  174. Quantum Similarity extensions to non-molecular systems: Nuclear Quantum Similarity

    Article • January 2000, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  175. Quantum objects, density functions and molecular quantum similarity measures

    Article • January 2000, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  176. Quantum self-similarity measures as QSAR descriptors

    Article • January 2000, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  177. Electron-electron repulsion energy as a QSAR descriptor

    Article • January 2000, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  178. Stochastic transformation of quantum similarity matrices and their use in quantum QSAR (QQSAR) models

    Article • International Journal of Quantum Chemistry, January 2000, Wiley

    Professor Ramon Carbó-Dorca

  179. Using Molecular Quantum Similarity Measures as Descriptors in Quantitative Structure-Toxicity Relationships

    Article • SAR and QSAR in Environmental Research, December 1999, Taylor & Francis

    Professor Ramon Carbó-Dorca

  180. Simple Linear QSAR Models Based on Quantum Similarity Measures

    Article • Journal of Medicinal Chemistry, December 1999, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  181. Advances in Molecular Similarity, Vol. 2 Edited by Ramon Carbó-Dorca (University of Girona) and Paul G. Mezey (University of Saskatchewan). JAI Press:  Stamford, CT and London. 1998. xii + 297 pp. $112.50. ISBN 0-7623-0258-5.

    Article • Journal of the American Chemical Society, September 1999, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  182. Fitted electronic density functions from H to Rn for use in quantum similarity measures: c-diamminedichloroplatinum(II) complex as an application example

    Article • Journal of Computational Chemistry, July 1999, Wiley

    Professor Ramon Carbó-Dorca

  183. Quantum similarity approach to LFER: substituent and solvent effects on the acidities of carboxylic acids

    Article • Journal of Physical Organic Chemistry, June 1999, Wiley

    Professor Ramon Carbó-Dorca

  184. Quantum similarity approach to LFER: substituent and solvent effects on the acidities of carboxylic acids

    Article • Journal of Physical Organic Chemistry, June 1999, Wiley

    Professor Ramon Carbó-Dorca

  185. Three-Dimensional Quantitative Structure−Activity Relationships from Tuned Molecular Quantum Similarity Measures:  Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family

    Article • Journal of Chemical Information and Computer Sciences, March 1999, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  186. Article • Journal of Computer-Aided Molecular Design, January 1999, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  187. Article • Journal of Computer-Aided Molecular Design, January 1999, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  188. Preface

    Article • January 1999, Elsevier

    Professor Ramon Carbó-Dorca

  189. Quantum similarity

    Article • January 1999, Elsevier

    Professor Ramon Carbó-Dorca

  190. Chemical bonds from the condition of minimal pair fluctuation: Correlated case

    Article • International Journal of Quantum Chemistry, January 1999, Wiley

    Professor Ramon Carbó-Dorca

  191. Fuzzy sets and boolean tagged sets; vector semispaces and convex sets; quantum similarity measures and asa density functions; diagonal vector spaces and quantum chemistry

    Article • January 1999, Elsevier

    Professor Ramon Carbó-Dorca

  192. The use of ab initio quantum molecular self-similarity measures to analyze electronic charge density distributions

    Article • International Journal of Quantum Chemistry, December 1998, Wiley

    Professor Ramon Carbó-Dorca

  193. Molecular quantum similarity measures as an alternative to log P values in QSAR studies

    Article • Journal of Computational Chemistry, November 1998, Wiley

    Professor Ramon Carbó-Dorca

  194. A general survey of molecular quantum similarity

    Article • Journal of Molecular Structure THEOCHEM, September 1998, Elsevier

    Professor Ramon Carbó-Dorca

  195. A comparative study of isodensity surfaces using ab initio and ASA density functions

    Article • Journal of Molecular Graphics and Modelling, August 1998, Elsevier

    Professor Ramon Carbó-Dorca

  196. A comparative study of isodensity surfaces using ab initio and ASA density functions

    Article • Journal of Molecular Graphics and Modelling, August 1998, Elsevier

    Professor Ramon Carbó-Dorca

  197. Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study †

    Article • Journal of Chemical Information and Computer Sciences, July 1998, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  198. Advances in Molecular Similarity Volume 1 Edited by Ramon Carbó-Dorca (University of Girona) and Paul G. Mezey (University of Saskatchewan). JAI Press:  London. 1996. xxi + 287 pp. $112.50. ISBN 0-76230-131-7.

    Article • Journal of the American Chemical Society, May 1998, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  199. Rayleigh-Schrödinger Perturbation Theory in Matrix Form

    Article • Journal of Chemical Education, April 1998, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  200. Structure-Activity Relationships of a Steroid Family using Quantum Similarity Measures and Topological Quantum Similarity Indices

    Article • Quantitative Structure-Activity Relationships, January 1997, Wiley

    Professor Ramon Carbó-Dorca

  201. Application of Molecular Quantum Similarity to QSAR

    Article • Quantitative Structure-Activity Relationships, January 1997, Wiley

    Professor Ramon Carbó-Dorca

  202. Analysis of the changes on the potential energy surface of Menshutkin reactions induced by external perturbations

    Article • Journal of Molecular Structure THEOCHEM, November 1996, Elsevier

    Professor Ramon Carbó-Dorca

  203. Preface

    Article • January 1996, Elsevier

    Professor Ramon Carbó-Dorca

  204. Quantum molecular similarity measures

    Article • January 1996, Elsevier

    Professor Ramon Carbó-Dorca

  205. Quantum molecular similarity measures (QMSM) and the atomic shell approximation (ASA)

    Article • January 1996, Elsevier

    Professor Ramon Carbó-Dorca

  206. Conformational analysis from the viewpoint of molecular similarity

    Article • January 1996, Elsevier

    Professor Ramon Carbó-Dorca

  207. The use of ab initio quantum molecular self‐similarity measures to analyze electronic charge density distributions

    Article • International Journal of Quantum Chemistry, January 1996, Wiley

    Professor Ramon Carbó-Dorca

  208. Atomic Shell Approximation: Electron Density Fitting Algorithm Restricting Coefficients to Positive Values

    Article • Journal of Chemical Information and Computer Sciences, November 1995, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  209. Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)

    Article • Journal of Mathematical Chemistry, January 1995, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  210. Definition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation

    Article • Journal of Mathematical Chemistry, January 1995, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  211. Molecular Similarity and Reactivity

    Article • January 1995, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  212. Theoretical Foundation of Quantum Molecular Similarity

    Article • January 1995, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  213. Foundations and recent developments on molecular quantum similarity

    Article • January 1995, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  214. Generalized Rayleigh-Schr�dinger perturbation theory in matrix form

    Article • Journal of Mathematical Chemistry, December 1994, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  215. Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd)

    Article • Journal of Chemical Information and Computer Sciences, September 1994, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  216. Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas

    Article • Computers & Chemistry, June 1994, Elsevier

    Professor Ramon Carbó-Dorca

  217. Use of ab Initio Quantum Molecular Similarities as an Interpretative Tool for the Study of Chemical Reactions

    Article • Journal of the American Chemical Society, June 1994, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  218. Molecular Quantum Similarity: theoretical Framework, Ordering Principles, and Visualization Techniques

    Article • January 1994, Elsevier

    Professor Ramon Carbó-Dorca

  219. Nested summation symbols and perturbation theory

    Article • Journal of Mathematical Chemistry, January 1993, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  220. Quantum similarity measures, molecular cloud description, and structure-properties relationships

    Article • Journal of Chemical Information and Computer Sciences, November 1992, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  221. A concurrent algorithm for parallel calculation of eigenvalues and eigenvectors of real symmetric matrices

    Article • Journal of Computational Chemistry, March 1992, Wiley

    Professor Ramon Carbó-Dorca

  222. Quantum molecular similarity measures and the n-dimensional representation of a molecular set: phenyldimethylthiazines

    Article • Journal of Molecular Structure THEOCHEM, February 1992, Elsevier

    Professor Ramon Carbó-Dorca

  223. AO integral evaluation using Cartesian exponential type orbitals (CETOs)

    Article • Canadian Journal of Chemistry, February 1992, Canadian Science Publishing

    Professor Ramon Carbó-Dorca

  224. Triple density molecular quantum similarity measures: A general connection between theoretical calculations and experimental results

    Article • Molecular Engineering, January 1992, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  225. Many Center AO Integral Evaluation Using Cartesian Exponential Type Orbitals (CETO'S)

    Article • January 1992, Elsevier

    Professor Ramon Carbó-Dorca

  226. Molsimil - 88: Molecular similarity calculations using a CNDO-like approximation

    Article • Computer Physics Communications, August 1989, Elsevier

    Professor Ramon Carbó-Dorca

  227. Ariadne-88: An ab initio monoconfigurational closed and open shell direct electronic energy calculation using elementary Jacobi rotations

    Article • Computer Physics Communications, March 1989, Elsevier

    Professor Ramon Carbó-Dorca

  228. Jacobi Rotations: A General Procedure for Electronic Energy Optimization

    Article • January 1989, Elsevier

    Professor Juan J. Novoa, Professor Ramon Carbó-Dorca

  229. Multiconfigurational calculations using Elementary Jacobi Rotations

    Article • Journal of Molecular Structure THEOCHEM, February 1985, Elsevier

    Professor Juan J. Novoa, Professor Ramon Carbó-Dorca

  230. Energy variation and elementary Jacobi rotations

    Article • Journal of Molecular Structure THEOCHEM, May 1983, Elsevier

    Professor Juan J. Novoa, Professor Ramon Carbó-Dorca

  231. Elementary Unitary MO Transformations and SCF Theory

    Article • January 1982, Elsevier

    Professor Ramon Carbó-Dorca

  232. Open Shell SCF Theory: An ab Initio Study of Some Interstellar Molecules

    Article • January 1980, Elsevier

    Professor Ramon Carbó-Dorca

  233. Mathematical basis of approximateMO theories: Origin of mulliken's magic formula

    Article • International Journal of Quantum Chemistry, August 1978, Wiley

    Professor Ramon Carbó-Dorca

  234. A General SCF Theory

    Article • January 1978

    Professor Ramon Carbó-Dorca

  235. Applications

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  236. Miscellaneous Remarks

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  237. Historical Review

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  238. Paired Excitation Multiconfigurational SCF

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  239. SCF Perturbation Theory

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  240. Eigenspace Manipulations

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  241. Approximate SCF Theories

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  242. General Theory for Two and Three Electron Systems

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  243. Electronic Energy, Fock Operators and Coupling Operators

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  244. The Problem of the Helium Atom First Excited Singlet State

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  245. Multiconfigurational Structure of Monoconfigurational SCF Procedures

    Article • January 1978, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  246. Unconditional convergence in SCF theory: a general level shift technique

    Article • Chemical Physics Letters, May 1977, Elsevier

    Professor Ramon Carbó-Dorca

  247. A general multiconfiguration paired excitation self-consistent field theory (MC PE SCF)

    Article • Chemical Physics Letters, April 1977, Elsevier

    Professor Ramon Carbó-Dorca

  248. Theoretical interstellar and prebiotic organic chemistry: A tentative methodology

    Article • August 1976, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  249. Empirical quantum chemical approach to structure-gas chromatographic retention index relationships

    Article • Journal of Chromatography A, February 1976, Elsevier

    Professor Ramon Carbó-Dorca

  250. A new look on SCF theory

    Article • Chemical Physics Letters, June 1975, Elsevier

    Professor Ramon Carbó-Dorca

  251. Empirical quantum chemical approach to structure-gas chromatographic retention index relationships

    Article • Journal of Chromatography A, May 1975, Elsevier

    Professor Ramon Carbó-Dorca

  252. Electrostatic molecular potential as a static index in the study of aromatic substitutions

    Article • Chemical Physics Letters, March 1975, Elsevier

    Professor Ramon Carbó-Dorca

  253. Structure-activity relations of phenethylamine. Comparison of quantum mechanical SCF ab initio and semiempirical calculations

    Article • Journal of the American Chemical Society, March 1975, American Chemical Society (ACS)

    Professor Ramon Carbó-Dorca

  254. Some remarks about a generalized SCF coupling operator open shell theory

    Article • Chemical Physics Letters, January 1975, Elsevier

    Professor Ramon Carbó-Dorca

  255. Ground and first excited states electrostatic molecular potentials of ketene and diazomethane

    Article • Chemical Physics Letters, October 1974, Elsevier

    Professor Ramon Carbó-Dorca

  256. All valence electron wavefunctions and electrostatic molecular potentials under zero differential overlap approximation

    Article • Chemical Physics Letters, March 1974, Elsevier

    Professor Ramon Carbó-Dorca

  257. Virtual orbitals in SCF theory. III: Perturbational treatment

    Article • Chemical Physics Letters, February 1972, Elsevier

    Professor Ramon Carbó-Dorca

  258. Note on a Roothaan procedure

    Article • Chemical Physics Letters, January 1971, Elsevier

    Professor Ramon Carbó-Dorca

  259. The perturbation theory for non-degenerate states and the extended H�ckel method

    Article • January 1970, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  260. A modified Del Re method

    Article • January 1970, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  261. Sequence of energy levels in molecular calculations with a nonorthogonal basis

    Article • Il Nuovo Cimento B, February 1969, Springer Science + Business Media

    Professor Ramon Carbó-Dorca

  262. Comparative borazarobenzenes calculations following different methods

    Article • January 1969, Springer Science + Business Media

    Professor Ramon Carbó-Dorca