All Stories

  1. Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies

    Article • PLoS ONE, October 2022, PLOS

    Dr Daniel Glossman-Mitnik

  2. Conceptual DFT as a Novel Chemoinformatics Tool for Studying the Chemical Reactivity Properties of the Amatoxin Family of Fungal Peptides

    Article • Open Chemistry, December 2019, De Gruyter

    Dr Daniel Glossman-Mitnik

  3. Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of Conceptual DFT

    Article • Marine Drugs, August 2018, MDPI AG

    Dr Daniel Glossman-Mitnik

  4. Local Molecular Reactivity of the Colored Dansylglycine in Water and Dioxane Studied through Conceptual DFT

    Article • Journal of Chemistry, July 2018, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik

  5. Computational study of the chemical reactivity of the Blue-M1 intermediate melanoidin

    Article • Computational and Theoretical Chemistry, June 2018, Elsevier

    Dr Daniel Glossman-Mitnik

  6. Blue M2: an intermediate melanoidin studied via conceptual DFT

    Article • Journal of Molecular Modeling, May 2018, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  7. Conceptual DFT study of the local chemical reactivity of the dilysyldipyrrolones A and B intermediate melanoidins

    Article • Theoretical Chemistry Accounts, April 2018, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  8. Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT

    Article • Molecules, March 2018, MDPI AG

    Dr Daniel Glossman-Mitnik

  9. Chemical Reactivity Theory (CRT) Study of the Melanoidin M8: Local Conceptual Density Functional Theory Descriptors

    Article • Computational Molecular Bioscience, January 2018, Scientific Research Publishing, Inc,

    Dr Daniel Glossman-Mitnik

  10. New Methods of Esterification of Nanodiamonds in Fighting Breast Cancer—A Density Functional Theory Approach

    Article • Molecules, October 2017, MDPI AG

    Dr Daniel Glossman-Mitnik

  11. Heteroleptic Cu(I) complexes containing polypyridyl ligands and triphenylphosphine: Synthesis, structure, photophysical properties, DFT studies and applications in co-sensitized solar cells

    Article • Inorganica Chimica Acta, September 2017, Elsevier

    Dr Campos Gaxiola Jose, Dr Daniel Glossman-Mitnik

  12. Molecular Modeling of the Structures, Properties and Glycating Power of Some Reducing Disaccharides

    Article • MOJ Drug Design Development & Therapy, March 2017, MedCrave Group LLC

    Dr Daniel Glossman-Mitnik

  13. Computational Prediction of the Protonation Sites of Ac-Lys-(Ala)n-Lys-NH2 Peptides through Conceptual DFT Descriptors

    Article • Molecules, March 2017, MDPI AG

    Dr Daniel Glossman-Mitnik

  14. Computational prediction of the preferred glycation sites of model helical peptides derived from human serum albumin (HSA) and lysozyme helix 4 (LH4)

    Article • Theoretical Chemistry Accounts, March 2017, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  15. Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors

    Article • Molecules, February 2017, MDPI AG

    Dr Daniel Glossman-Mitnik

  16. Vibrational spectroscopic study, structural analysis, photophysical properties and theoretical calculations of cis -(±)-2,4,5-tris(pyridin-2-yl)imidazoline

    Article • Journal of Molecular Structure, February 2017, Elsevier

    Dr Daniel Glossman-Mitnik, Dr Campos Gaxiola Jose

  17. A conceptual DFT study of the molecular properties of glycating carbonyl compounds

    Article • Chemistry Central Journal, January 2017, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  18. A Comparative Study of the Glycating Power of Simple Carbohydrates in the Maillard Reaction by Means of Conceptual DFT Descriptors

    Article • British Journal of Applied Science & Technology, January 2017, Sciencedomain International

    Dr Daniel Glossman-Mitnik

  19. Comparative Study of the Chemical Reactivity of Helical Peptide Models for Protein Glycation

    Article • Computational Chemistry, January 2017, Scientific Research Publishing, Inc,

    Dr Daniel Glossman-Mitnik

  20. Application of DFT concepts to the study of the chemical reactivity of some resveratrol derivatives through the assessment of the validity of the “Koopmans in DFT” (KID) procedure

    Article • Journal of Theoretical and Computational Chemistry, December 2016, World Scientific Pub Co Pte Lt

    Dr Daniel Glossman-Mitnik, Dr Francisco Munoz

  21. A Molecular Electron Density Theory Study of the Chemical Reactivity of Cis- and Trans-Resveratrol

    Article • Molecules, December 2016, MDPI AG

    Dr Daniel Glossman-Mitnik, Dr Francisco Munoz

  22. Theoretical Study of theπ-Bridge Influence with Different Units of Thiophene and Thiazole in Coumarin Dye-Sensitized Solar Cells

    Article • International Journal of Photoenergy, January 2016, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik

  23. Preparation and Characterization of Cerium (III) Doped Captopril Nanoparticles and Study of their Photoluminescence Properties

    Article • Open Chemistry, January 2016, De Gruyter

    Dr Daniel Glossman-Mitnik

  24. Cheminformatics to Prompt the Process of Drug Discovery

    Article • Chemical Informatics, January 2016, Scitechnol Biosoft Pvt. Ltd.

    Dr Daniel Glossman-Mitnik

  25. Theoretical calculation of the maximum absorption wavelength for Cyanidin molecules with several methodologies

    Article • Computational and Theoretical Chemistry, September 2015, Elsevier

    Dr Daniel Glossman-Mitnik

  26. Study of chemical reactivity in relation to experimental parameters of efficiency in coumarin derivatives for dye sensitized solar cells using DFT

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Daniel Glossman-Mitnik

  27. The substituent effect from the perspective of local hyper-softness. An example applied on normeloxicam, meloxicam and 4-meloxicam: Non-steroidal anti-inflammatory drugs

    Article • Chemical Physics Letters, January 2015, Elsevier

    Dr Daniel Glossman-Mitnik

  28. Morphological Investigation and Fractal Properties of Realgar Nanoparticles

    Article • Journal of Nanomaterials, January 2015, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik

  29. Fractal Dimension Calculation of a Manganese-Chromium Bimetallic Nanocomposite Using Image Processing

    Article • Journal of Nanomaterials, January 2015, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik

  30. DFT Study of Polythiophene Energy Band Gap and Substitution Effects

    Article • Journal of Chemistry, January 2015, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik

  31. Computational chemistry of natural products: a comparison of the chemical reactivity of isonaringin calculated with the M06 family of density functionals

    Article • Journal of Molecular Modeling, July 2014, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  32. Computational Nanochemistry Report on the Oxicams—Conceptual DFT Indices and Chemical Reactivity

    Article • The Journal of Physical Chemistry, May 2013, American Chemical Society (ACS)

    Dr Daniel Glossman-Mitnik

  33. DENSITY FUNCTIONAL STUDY OF THE EFFECTS OF THE SUBSTITUENTS ON THE CHEMICAL REACTIVITY OF THE INDIGO MOLECULE

    Article • Journal of Theoretical and Computational Chemistry, May 2013, World Scientific Pub Co Pte Lt

    Dr Daniel Glossman-Mitnik

  34. Experimental and quantum chemical studies of a novel synthetic prenylated chalcone

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

    Dr Alejandro A Camacho-Dávila, Dr Daniel Glossman-Mitnik, Ph.D. Guadalupe Virginia Nevarez-Moorillon

  35. Theoretical Study of Copper Complexes: Molecular Structure, Properties, and Its Application to Solar Cells

    Article • International Journal of Photoenergy, January 2013, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik, Jorge Luis Almaral Sánchez

  36. The Indigo Molecule Revisited Again: Assessment of the Minnesota Family of Density Functionals for the Prediction of Its Maximum Absorption Wavelengths in Various Solvents

    Article • Journal of Chemistry, January 2013, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik

  37. Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase fromMycobacterium tuberculosis

    Article • Journal of Chemistry, January 2013, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik

  38. Computational Nanochemistry Study of the Molecular Structure and Properties of Chlorophyll a

    Article • International Journal of Photoenergy, January 2013, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik

  39. Computational Nutraceutics: Chemical Reactivity Properties of the Flavonoid Naringin by Means of Conceptual DFT

    Article • Journal of Chemistry, January 2013, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik

  40. Computational Study of the Chemical Reactivity Properties of the Rhodamine B Molecule

    Article • Procedia Computer Science, January 2013, Elsevier

    Dr Daniel Glossman-Mitnik

  41. Computational Molecular Nanoscience Study of the Properties of Copper Complexes for Dye-Sensitized Solar Cells

    Article • International Journal of Molecular Sciences, November 2012, MDPI AG

    Dr Daniel Glossman-Mitnik, Jorge Luis Almaral Sánchez

  42. A theoretical study of the carbocation formation energy involved in the isomerization of α-pinene

    Article • Chemical Physics Letters, September 2012, Elsevier

    Dr Daniel Glossman-Mitnik

  43. DFT study of the effect of substituents on the absorption and emission spectra of Indigo

    Article • Chemistry Central Journal, July 2012, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  44. Computational study of Au_4 cluster on a carbon nanotube with and without defects using QM/MM methodology

    Article • Journal of Molecular Modeling, June 2012, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  45. Corrigendum to “Computational study of the molecular structure and reactive sites of the R and S isomers of persin diene” [J. Mol. Struct. (THEOCHEM) 869 (2008) 67–74]

    Article • Computational and Theoretical Chemistry, June 2012, Elsevier

    Dr Daniel Glossman-Mitnik, Dr Graciela Avila-Quezada

  46. DFT study of the interaction between the conjugated fluorescein and dabcyl system, using fluorescene quenching method

    Article • Journal of Molecular Modeling, April 2012, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik, Professor Pablo López-Albarrán

  47. Density Functional Theory (DFT) Study of Triphenylamine-Based Dyes for Their Use as Sensitizers in Molecular Photovoltaics

    Article • International Journal of Molecular Sciences, April 2012, MDPI AG

    Dr Daniel Glossman-Mitnik, Jorge Luis Almaral Sánchez

  48. Topics in quantum physics with origins in astronomy: Two examples

    Article • American Journal of Physics, January 2012, American Association of Physics Teachers (AAPT)

    Dr Daniel Glossman-Mitnik

  49. EFFECTS OF SULFUR SUBSTITUTIONAL IMPURITIES ON ZnO STRUCTURE USING DENSITY FUNCTIONAL THEORY

    Article • International Journal of Nanoscience, June 2011, World Scientific Pub Co Pte Lt

    Dr Daniel Glossman-Mitnik

  50. Computational characterization of the molecular structure and properties of Dye 7 for organic photovoltaics

    Article • Journal of Molecular Modeling, May 2011, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  51. Ab initio study of electron transport in 4-(3-nitro-4-tetrafluorophenylthiolate-ethynyl, phenylethynyl) benzenethiolate

    Article • Journal of Molecular Modeling, May 2011, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  52. Effects of sulfur substitutional impurities on (ZnO)n clusters (n=4–12) using density functional theory

    Article • Computational and Theoretical Chemistry, April 2011, Elsevier

    Dr Daniel Glossman-Mitnik

  53. Computational Study of 3,4-Diphenyl-4-(4-Metoxyphenyl)-1,2,5-Thiadiazoline 1,1-Dioxide for Molecular Photovoltaics

    Article • Journal of Computational and Theoretical Nanoscience, January 2011, American Scientific Publishers

    Dr Daniel Glossman-Mitnik

  54. Electronic structure study using density functional theory in organic dendrimers

    Article • Journal of Molecular Modeling, December 2010, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  55. Excited states analysis of sulfur substitutional impurities on (ZnO)6 clusters using DFT and TD-DFT

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

    Dr Daniel Glossman-Mitnik

  56. Exploration of the kinetic and thermochemical abilities for the free radical scavenging of two quercetin conformers

    Article • Journal of Molecular Structure, September 2010, Elsevier

    Dr Daniel Glossman-Mitnik, Dr. Rogerio R. Sotelo-Mundo

  57. Computational molecular characterization of the flavonoid Morin and its Pt(II), Pd(II) and Zn(II) complexes

    Article • Journal of Molecular Modeling, July 2010, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  58. Natural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT Study

    Article • Molecules, June 2010, MDPI AG

    Dr Daniel Glossman-Mitnik

  59. Computational molecular characterization of the flavonoid rutin

    Article • Chemistry Central Journal, June 2010, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  60. Computational characterization of sodium selenite using density functional theory

    Article • Journal of Molecular Modeling, June 2010, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  61. TD-DFT/IEFPCM determination of the absorption and emission spectra of DABCYL

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

    Dr Daniel Glossman-Mitnik

  62. Computational characterization of the β,β-carotene molecule

    Article • Journal of Molecular Structure THEOCHEM, November 2009, Elsevier

    Dr Daniel Glossman-Mitnik

  63. Computational prediction of the melting temperature of a DNA biosensor to detect Mycobacterium tuberculosis

    Article • Journal of Molecular Structure THEOCHEM, October 2009, Elsevier

    Dr Daniel Glossman-Mitnik

  64. Computational note on the chemical reactivity of pyrrole derivatives

    Article • Journal of Molecular Structure THEOCHEM, October 2009, Elsevier

    Dr Daniel Glossman-Mitnik

  65. Computational molecular characterization of Coumarin-102

    Article • Journal of Molecular Structure THEOCHEM, October 2009, Elsevier

    Dr Daniel Glossman-Mitnik

  66. Molecular modeling of the melting temperature of a tuberculosis DNA nanobiosensor

    Article • New Biotechnology, September 2009, Elsevier

    Dr Daniel Glossman-Mitnik

  67. Theoretical calculations of molecular dipole moment, polarizability, and first hyperpolarizability of glycine–sodium nitrate

    Article • Journal of Molecular Structure THEOCHEM, July 2009, Elsevier

    Dr Daniel Glossman-Mitnik

  68. Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization

    Article • Journal of Molecular Modeling, June 2009, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  69. Theoretical study of electronic properties of organic photovoltaic materials

    Article • Journal of Computational Chemistry, May 2009, Wiley

    Dr Daniel Glossman-Mitnik

  70. Computational note on the calculation of the molecular structure and properties of 3,4-diphenyl 1,2,5-thiadiazoline 1,1-dioxide derivatives for organic photovoltaics

    Article • Journal of Molecular Structure THEOCHEM, May 2009, Elsevier

    Dr Daniel Glossman-Mitnik

  71. Fuel Gas Storage and Separations by Metal−Organic Frameworks: Simulated Adsorption Isotherms for H 2 and CH 4 and Their Equimolar Mixture

    Article • The Journal of Physical Chemistry C, April 2009, American Chemical Society (ACS)

    Dr Daniel Glossman-Mitnik

  72. Characterization of the semiquinones and quinones of (−)-epicatechin by means of computational chemistry

    Article • Journal of Molecular Structure THEOCHEM, March 2009, Elsevier

    Dr Daniel Glossman-Mitnik, Dr Graciela Avila-Quezada

  73. Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization: group Z

    Article • Journal of Molecular Modeling, February 2009, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  74. Theoretical analysis of anthracene and its carbonyl and carboxyl derivatives using DFT and TD-DFT

    Article • Journal of Molecular Structure THEOCHEM, January 2009, Elsevier

    Dr Daniel Glossman-Mitnik

  75. Computational Study of 3,4-Diphenyl-1,2,5-Thiadiazole 1-Oxide for Organic Photovoltaics

    Article • International Journal of Photoenergy, January 2009, Hindawi Publishing Corporation

    Dr Daniel Glossman-Mitnik

  76. Computational study of the molecular structure and reactive sites of the R and S isomers of persin diene

    Article • Journal of Molecular Structure THEOCHEM, November 2008, Elsevier

    Dr Daniel Glossman-Mitnik, Dr Graciela Avila-Quezada

  77. Computational note on the calculation of the pKa of fluorescein

    Article • Journal of Molecular Structure THEOCHEM, November 2008, Elsevier

    Dr Daniel Glossman-Mitnik

  78. Thermal, mechanical, and electronic properties of glycine-sodium nitrate crystal

    Article • Journal of Physics and Chemistry of Solids, August 2008, Elsevier

    Dr Daniel Glossman-Mitnik

  79. Molecular structure and substitution effects on diphenylanthrazolines for organic semiconductors: A theoretical study

    Article • Journal of Molecular Structure THEOCHEM, August 2008, Elsevier

    Dr Daniel Glossman-Mitnik

  80. CHIH-DFT computational molecular characterization of phenanthro [9,10-c]-1,2,5-thiadiazole 1,1-dioxide

    Article • Journal of Molecular Structure THEOCHEM, August 2008, Elsevier

    Dr Daniel Glossman-Mitnik

  81. Theoretical study of chemical reactivity of the main species in the α-pinene isomerization reaction

    Article • Journal of Molecular Structure THEOCHEM, April 2008, Elsevier

    Dr Daniel Glossman-Mitnik

  82. Band structure, optical properties and infrared spectrum of glycine–sodium nitrate crystal

    Article • Journal of Molecular Structure, March 2008, Elsevier

    Dr Daniel Glossman-Mitnik

  83. Computational note on the calculation of the dipole moment, polarizability and hyperpolarizability of solanidine

    Article • Journal of Molecular Structure THEOCHEM, January 2008, Elsevier

    Dr Daniel Glossman-Mitnik

  84. Optimized structure and thermochemical properties of flavonoids determined by the CHIH(medium)–DFT model chemistry versus experimental techniques

    Article • Journal of Molecular Structure, December 2007, Elsevier

    Dr Alejandro A Camacho-Dávila, Dr Daniel Glossman-Mitnik

  85. DFT studies of functionalized carbon nanotubes and fullerenes as nanovectors for drug delivery of antitubercular compounds

    Article • Chemical Physics Letters, October 2007, Elsevier

    Dr Daniel Glossman-Mitnik

  86. CHIH-DFT computational molecular characterization of acenaphto[1,2-c]-1,2,5-thiadiazole 1,1-dioxide

    Article • Journal of Molecular Structure THEOCHEM, June 2007, Elsevier

    Dr Daniel Glossman-Mitnik

  87. CHIH-DFT determination of the dipole moment, polarizability and hyperpolarizability of γ-solanine

    Article • Journal of Molecular Structure THEOCHEM, April 2007, Elsevier

    Dr Daniel Glossman-Mitnik

  88. CHIH-DFT determination of the molecular structure infrared spectra, UV spectra and chemical reactivity of three antitubercular compounds: Rifampicin, Isoniazid and Pyrazinamide

    Article • Journal of Molecular Modeling, January 2007, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  89. CHIH-DFT determination of the molecular structure and infrared and ultraviolet spectra of -solanine

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, January 2007, Elsevier

    Dr Daniel Glossman-Mitnik

  90. Computational simulations of the molecular structure and corrosion properties of amidoethyl, aminoethyl and hydroxyethyl imidazolines inhibitors

    Article • Corrosion Science, December 2006, Elsevier

    Dr Daniel Glossman-Mitnik

  91. CBS-QB3 calculation of quantum chemical molecular descriptors of isomeric thiadiazoles

    Article • Journal of Molecular Graphics and Modelling, December 2006, Elsevier

    Dr Daniel Glossman-Mitnik

  92. CHIH-DFT determination of the molecular structure and IR and UV spectra of solanidine

    Article • Journal of Molecular Modeling, May 2006, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  93. CHIH-DFT Determination of the Molecular Structure and Infrared and Ultraviolet Spectra of Azathiophenes

    Article • Theoretical Chemistry Accounts, May 2006, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  94. Theoretical study of the molecular properties and chemical reactivity of (+)-catechin and (−)-epicatechin related to their antioxidant ability

    Article • Journal of Molecular Structure THEOCHEM, March 2006, Elsevier

    Dr Daniel Glossman-Mitnik

  95. G3-B3 calculation of the molecular structure and descriptors of isomeric thiadiazoles

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

    Dr Daniel Glossman-Mitnik

  96. Synthesis of TiO 2 nanorods in the presence of linear DNA plasmid pBR322 by a sol–gel process

    Article • Nanotechnology, June 2005, Institute of Physics Publishing

    Dr Daniel Glossman-Mitnik

  97. CHIH-DFT determination of the reactivity sites of the antiparasitic drug megazol

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

    Dr Daniel Glossman-Mitnik

  98. Study of the effect of solvent induced swelling on the resistivity of butadiene based elastomers filled with carbon particles

    Article • Sensors and Actuators A Physical, March 2005, Elsevier

    Dr Daniel Glossman-Mitnik

  99. CHIH-DFT theoretical study of isomeric thiatriazoles and their potential activity as corrosion inhibitors

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

    Dr Daniel Glossman-Mitnik

  100. CHIH-DFT study of the electronic properties and chemical reactivity of quercetin

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

    Dr Daniel Glossman-Mitnik

  101. CHIH-DFT determination of the electrical, optical, and magnetic properties and NICS aromaticity of megazol

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

    Dr Daniel Glossman-Mitnik

  102. Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties

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

    Dr Daniel Glossman-Mitnik

  103. CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of the flavonoid quercetin

    Article • Journal of Molecular Structure THEOCHEM, July 2004, Elsevier

    Dr Daniel Glossman-Mitnik

  104. CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of the antiparasitic drug megazol

    Article • Journal of Molecular Structure THEOCHEM, July 2004, Elsevier

    Dr Daniel Glossman-Mitnik

  105. CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of potentially organic corrosion inhibitors

    Article • Journal of Molecular Structure THEOCHEM, July 2004, Elsevier

    Dr Daniel Glossman-Mitnik

  106. Influence of the basis set and correlation method on the calculation of the dipole moments of isomeric thiadiazoles

    Article • Journal of Molecular Structure THEOCHEM, September 2003, Elsevier

    Dr Daniel Glossman-Mitnik

  107. An introductory study of the molecular structure and properties of oligothiadiazoles

    Article • Journal of Molecular Structure THEOCHEM, September 2003, Elsevier

    Dr Daniel Glossman-Mitnik

  108. Molecular design of organic nonlinear optics: dipole moment, polarizability and hyperpolarizabilities of thiadiazole oligomers investigated by density functional theory methods

    Article • December 2002, SPIE

    Dr Daniel Glossman-Mitnik

  109. Crystallographic study and molecular orbital calculations of thiadiazole derivatives. 2. 3,4-diphenyl-1,2,5-thiadiazole 1-monoxide

    Article • Journal of Molecular Structure, February 2002, Elsevier

    Dr Daniel Glossman-Mitnik

  110. Article • Journal of Nanoparticle Research, January 2002, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  111. Crystallographic study and molecular orbital calculations of thiadiazole derivatives. Part 3: 3,4-diphenyl-1,2,5-thiadiazoline 1,1-dioxide, 3,4-diphenyl-1,2,5-thiadiazolidine 1,1-dioxide and 4-ethoxy-5-methyl-3,4-diphenyl-1,2,5-thiadiazoline 1,1-dioxide

    Article • Journal of Molecular Structure, October 2001, Elsevier

    Dr Daniel Glossman-Mitnik

  112. A theoretical study on the aromaticity of thiadiazoles and related compounds

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

    Dr Daniel Glossman-Mitnik

  113. Influence of the basis set and correlation method on the calculation of molecular structures: thiadiazoles revisited

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

    Dr Daniel Glossman-Mitnik

  114. Crystallographic study and molecular orbital calculations of thiadiazole derivatives. 1. Phenanthro[9,10-c]-1,2,5-thiadiazole 1,1-dioxide and acenaphtho[1,2-c]-1,2,5-thiadiazole 1,1-dioxide

    Article • Journal of Molecular Structure, May 2001, Elsevier

    Dr Daniel Glossman-Mitnik

  115. Ab initio study of the additivity concept applied for the effects of one substituent within cyclic compounds

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

    Dr Daniel Glossman-Mitnik

  116. HF and DFT calculations of the molecular structure of isomeric thiadiazole dioxides

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

    Dr Daniel Glossman-Mitnik

  117. Application of density functional theory concepts to the study of the chemical reactivity of isomeric thiadiazolines

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

    Dr Daniel Glossman-Mitnik

  118. Local and nonlocal density functional calculations of the molecular structure of isomeric thiadiazole monoxides

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

    Dr Daniel Glossman-Mitnik

  119. Unexpected production of 2,4,6-triphenyl-1,3,5-triazine in the electroreduction of 3,4-diphenyl-1,2,5-thiadiazole 1-oxide. Theoretical estimation of reactive sites for 1-oxide and 1,1-dioxide 1,2,5-thiadiazoles

    Article • Tetrahedron Letters, May 2000, Elsevier

    Dr Daniel Glossman-Mitnik

  120. Local and nonlocal density functional calculations of the molecular structure of isomeric thiadiazole monoxides

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

    Dr Daniel Glossman-Mitnik

  121. Crystallographic study and molecular orbital calculations of 1,2,5-thiadiazole 1,1-dioxide derivatives

    Article • Journal of Physical Organic Chemistry, February 1998, Wiley

    Dr Daniel Glossman-Mitnik

  122. Linear response of a magnetized electron gas: application to the thermodynamics of aluminium

    Article • Journal of Physics Condensed Matter, August 1997, Institute of Physics Publishing

    Dr Daniel Glossman-Mitnik

  123. The charge density induced by a point test charge in a magnetized electron gas

    Article • Journal of Physics Condensed Matter, August 1995, Institute of Physics Publishing

    Dr Daniel Glossman-Mitnik

  124. Incipient manifestation of the shell structure of atoms within the WDA model for the exchange and kinetic energy density functionals

    Article • Chemical Physics, July 1995, Elsevier

    Dr Daniel Glossman-Mitnik

  125. Application of density functional theory concepts to the study of the chemical reactivity of thiadiazoles

    Article • Journal of Molecular Structure THEOCHEM, January 1995, Elsevier

    Dr Daniel Glossman-Mitnik

  126. Atomic structure of metallic clusters of large size

    Article • Philosophical Magazine B, May 1994, Taylor & Francis

    Dr Daniel Glossman-Mitnik

  127. Nonlocal exchange and kinetic energy density functionals with correct asymptotic behavior for electronic systems

    Article • International Journal of Quantum Chemistry, January 1994, Wiley

    Dr Daniel Glossman-Mitnik

  128. Nonlocal exchange- and kinetic-energy density functionals for electronic systems: Application to atoms and ions

    Article • Physical Review A, March 1993, American Physical Society (APS)

    Dr Daniel Glossman-Mitnik

  129. Stabilities of large sodium clusters for different atomic arrangements

    Article • February 1993, American Physical Society (APS)

    Dr Daniel Glossman-Mitnik

  130. Nonlocal approximation to the exchange and kinetic energy functionals: Application to metallic clusters

    Article • International Journal of Quantum Chemistry, January 1993, Wiley

    Dr Daniel Glossman-Mitnik

  131. Atomic structure of metallic clusters of medium size

    Article • International Journal of Modern Physics B, December 1992, World Scientific Pub Co Pte Lt

    Dr Daniel Glossman-Mitnik

  132. SS433 and hydrogen spectrum beyond the Paschen-Back region

    Article • International Journal of Theoretical Physics, July 1992, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  133. Distribution of interatomic distances in large metallic clusters

    Article • June 1992, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  134. Nonlocal exchange and kinetic-energy density functionals for electronic systems

    Article • International Journal of Quantum Chemistry, March 1992, Wiley

    Dr Daniel Glossman-Mitnik

  135. Variational study of a new approximation for the kinetic energy functional

    Article • Chemical Physics Letters, January 1992, Elsevier

    Dr Daniel Glossman-Mitnik

  136. Improved Variational Calculations with Atomic Energy Functional Using an Additional Restriction on the Density

    Article • January 1991, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  137. A Thomas-Fermi-Dirac Theory of an Atom in Strong Magnetic Fields

    Article • Journal of the Physical Society of Japan, October 1990, Physical Society of Japan

    Dr Daniel Glossman-Mitnik

  138. Some applications of Scheidemann-Dreizler's solution of the TFDW equation

    Article • Chemical Physics Letters, June 1990, Elsevier

    Dr Daniel Glossman-Mitnik

  139. Calculation of 〈p〉 and 〈p−1〉 from variational atomic electron densities

    Article • Chemical Physics Letters, March 1990, Elsevier

    Dr Daniel Glossman-Mitnik

  140. Atomic calculations through a modified Thomas-Fermi-Dirac-Weizs�cker theory

    Article • June 1989, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  141. Approximate analytical solution of the Thomas-Fermi equation for positive ions in a strong magnetic field

    Article • March 1987, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  142. Short numerical test for Lude�a's functional

    Article • Few-Body Systems, January 1987, Springer Science + Business Media

    Dr Daniel Glossman-Mitnik

  143. Asymmetric rare gas pair potentials from energy density functionals

    Article • The Journal of Chemical Physics, December 1986, American Institute of Physics

    Dr Daniel Glossman-Mitnik