All Stories

  1. Aromaticity in the Light of Magnetic Criteria

    Article • Current Organic Chemistry, January 2018, Bentham Science Publishers

    Dr Pratim Kumar Chattaraj

  2. How strong are the metallocene–metallocene interactions? Cases of ferrocene, ruthenocene, and osmocene

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj, Dr Gabriel Merino

  3. σ-Aromatic cyclic M3+ (M = Cu, Ag, Au) clusters and their complexation with dimethyl imidazol-2-ylidene, pyridine, isoxazole, furan, noble gases and carbon monoxide

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  4. Conceptual Density Functional Theory of Chemical Reactivity

    Article • October 2015, Bentham Science Publishers

    Dr Pratim Kumar Chattaraj

  5. Metastable behavior of noble gas inserted tin and lead fluorides

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

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj

  6. Orbital free DFT versus single density equation: a perspective through quantum domain behavior of a classically chaotic system

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

    Dr Pratim Kumar Chattaraj

  7. On the stability of noble gas bound 1-tris(pyrazolyl)borate beryllium and magnesium complexes

    Article • New Journal of Chemistry, January 2015, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  8. Analyzing torquoselectivity in electrocyclic ring opening reactions of trans-3,4-dimethylcyclobutene and 3-formylcyclobutene through electronic structure principles

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

    Dr Pratim Kumar Chattaraj

  9. Movement of Ng 2 molecules confined in a C 60 cage: An ab initio molecular dynamics study

    Article • Chemical Physics Letters, August 2014, Elsevier

    Dr Pratim Kumar Chattaraj

  10. The inorganic analogues of carbo -benzene

    Article • Chemical Physics Letters, August 2014, Elsevier

    Dr Pratim Kumar Chattaraj

  11. Gas storage potential of ExBox4+and its Li-decorated derivative

    Article • Physical Chemistry Chemical Physics, June 2014, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  12. Carbo-Cages: A Computational Study

    Article • The Journal of Organic Chemistry, June 2014, American Chemical Society (ACS)

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj

  13. Quantum equivalence of a driven triple-well Van der Pol oscillator: A QTM study

    Article • Chemical Physics, June 2014, Elsevier

    Dr Pratim Kumar Chattaraj

  14. Ab Initio Study on the Stability of NgnBe2N2, NgnBe3N2and NgBeSiN2Clusters

    Article • ChemPhysChem, May 2014, Wiley

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj

  15. Chemical reactivity through structure-stability landscape

    Article • International Journal of Quantum Chemistry, May 2014, Wiley

    Dr Pratim Kumar Chattaraj

  16. Confinement induced binding of noble gas atoms

    Article • The Journal of Chemical Physics, April 2014, American Institute of Physics

    Dr Pratim Kumar Chattaraj

  17. Guest-host interaction in an aza crown analog

    Article • International Journal of Quantum Chemistry, February 2014, Wiley

    Dr Pratim Kumar Chattaraj

  18. Stability and structural dynamics of clusters

    Article • Chemical Physics Letters, February 2014, Elsevier

    Dr Pratim Kumar Chattaraj

  19. Reactivity dynamics of confined atoms in the presence of an external magnetic field

    Article • The European Physical Journal D, February 2014, Springer Science + Business Media

    Dr Pratim Kumar Chattaraj, Utpal Sarkar

  20. B182−: a quasi-planar bowl member of the Wankel motor family

    Article • Chemical Communications, January 2014, Royal Society of Chemistry

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj, Professor Thomas Heine

  21. Noble gas encapsulation: clathrate hydrates and their HF doped analogues

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  22. Aromaticity in Polyacenes and Their Structural Analogues

    Article • Current Organic Chemistry, December 2013, Bentham Science Publishers

    Dr Pratim Kumar Chattaraj

  23. - ADVANCES IN APPLICATIONS OF NANOTECHNOLOGY TO DRUG DELIVERY: A BIOPHARMACEUTICAL PERSPECTIVE

    Article • November 2013, Taylor & Francis

    Dr Pratim Kumar Chattaraj

  24. In Quest of Strong Be–Ng Bonds among the Neutral Ng–Be Complexes

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

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj

  25. Attractive Xe–Li interaction in Li-decorated clusters

    Article • Computational and Theoretical Chemistry, October 2013, Elsevier

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj

  26. Redox and Lewis acid–base activities through an electronegativity-hardness landscape diagram

    Article • Journal of Molecular Modeling, September 2013, Springer Science + Business Media

    Dr Pratim Kumar Chattaraj

  27. Concurrent loss of aromaticity and onset of superexchange in Mg3Na2 with an increasing Na–Mg3 distance

    Article • Theoretical Chemistry Accounts, August 2013, Springer Science + Business Media

    Dr Pratim Kumar Chattaraj

  28. Methane hydrates and their HF doped analogues

    Article • Chemical Physics Letters, July 2013, Elsevier

    Dr Pratim Kumar Chattaraj

  29. Local hardness equalization and the principle of maximum hardness

    Article • The Journal of Chemical Physics, June 2013, American Institute of Physics

    Dr Pratim Kumar Chattaraj

  30. Structure and Stability of (NG)nCN3Be3+ Clusters and Comparison with (NG)BeY0/+

    Article • ChemPhysChem, June 2013, Wiley

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj

  31. Possibility of Having HF-Doped Hydrogen Hydrates

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

    Dr Pratim Kumar Chattaraj

  32. Effect of microsolvation on hydrogen trapping potential of metal ions

    Article • Chemical Physics, March 2013, Elsevier

    Dr Pratim Kumar Chattaraj

  33. Density dynamics in some quantum systems

    Article • International Journal of Quantum Chemistry, February 2013, Wiley

    Dr Pratim Kumar Chattaraj, Debdutta Chakraborty

  34. On the Validity of the Maximum Hardness Principle and the Minimum Electrophilicity Principle during Chemical Reactions

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

    Dr Pratim Kumar Chattaraj, Prof. Dr. Miquel Solà

  35. C5Li7+ and O2Li5+ as Noble‐Gas‐Trapping Agents

    Article • Chemistry - A European Journal, January 2013, Wiley

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj

  36. Molecular reactivity dynamics in a confined environment

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  37. A one-pot Garratt–Braverman cyclization and Scholl oxidation route to acene–helicene hybrids

    Article • RSC Advances, January 2013, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  38. Cucurbiturils as promising hydrogen storage materials: a case study of cucurbit[7]uril

    Article • New Journal of Chemistry, January 2013, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  39. Biological Activity and Toxicity: A Conceptual DFT Approach

    Article • November 2012, Springer Science + Business Media

    Dr Pratim Kumar Chattaraj

  40. An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach

    Article • September 2012, Wiley

    Dr Pratim Kumar Chattaraj

  41. 3D-QSAR Studies on the Inhibitory Activity of Trimethoprim Analogues against Escherichia coli Dihydrofolate Reductase

    Article • Chemical Biology & Drug Design, March 2012, Wiley

    Dr Pratim Kumar Chattaraj

  42. A (T–P) Phase Diagram of Hydrogen Storage on (N4C3H)6Li6

    Article • The Journal of Physical Chemistry A, March 2012, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  43. ChemInform Abstract: Hydrogen Storage: An Overview with Current Insights Based on a Conceptual DFT Approach

    Article • ChemInform, March 2012, Wiley

    Dr Pratim Kumar Chattaraj

  44. Pd(II)–N-heterocyclic carbene complexes of 2,6-bis{N-methyl-(imidazolium/benzimidazolium)}pyrazinechloride: Synthesis, structure, catalysis and theoretical studies

    Article • Inorganica Chimica Acta, March 2012, Elsevier

    Dr. Joydev Dinda, Dr Pratim Kumar Chattaraj

  45. Structure-stability diagrams and stability-reactivity landscapes: a conceptual DFT study

    Article • Theoretical Chemistry Accounts, February 2012, Springer Science + Business Media

    Dr Pratim Kumar Chattaraj

  46. The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory

    Article • Accounts of Chemical Research, January 2012, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  47. The hydrogen trapping potential of some Li-doped star-like clusters and super-alkali systems

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj

  48. A tug-of-war between electronic excitation and confinement in a dynamical context

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj, Utpal Sarkar

  49. Heterotrimetallic compounds containing Mo–M–Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj, Manish Bhattacharjee

  50. Some novel molecular frameworks involving representative elements

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj, Koushik Goswami

  51. Understanding local electrophilicity/nucleophilicity activation through a single reactivity difference index

    Article • Organic & Biomolecular Chemistry, January 2012, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  52. Fitness landscapes in natural rocks system evolution: A conceptual DFT treatment#

    Article • Journal of Chemical Sciences, January 2012, Springer Science + Business Media

    Dr Pratim Kumar Chattaraj

  53. Structure-stability diagrams and stability-reactivity landscapes: a conceptual DFT study

    Article • January 2012, Springer Science + Business Media

    Dr Pratim Kumar Chattaraj

  54. Analysis of the structure, bonding, aromaticity and existence of possible bond-stretch isomerism in trigonal anionic metal clusters, X[sub 3][sup −](X = Be,Mg,Ca)

    Article • January 2012, American Institute of Physics

    Dr Pratim Kumar Chattaraj

  55. Comment on “Ruling Out Any Electrophilicity Equalization Principle”

    Article • The Journal of Physical Chemistry A, December 2011, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  56. Stability assessment using synchrophasor data

    Article • December 2011, Institute of Electrical & Electronics Engineers (IEEE)

    Dr Pratim Kumar Chattaraj

  57. A computational study on the hydrogen adsorption capacity of various lithium-Doped boron hydrides

    Article • Journal of Computational Chemistry, November 2011, Wiley

    Dr Pratim Kumar Chattaraj

  58. Synthesis, structure and theoretical studies of Hg(II)–NH carbene complex of annulated ligand pyridinyl[1,2-a]{2-pyridylimidazol}-3-ylidene hexaflurophosphate

    Article • Inorganica Chimica Acta, September 2011, Elsevier

    Dr. Joydev Dinda, Dr Pratim Kumar Chattaraj, Dr Raghavaiah Pallepogu

  59. Stability and aromaticity of nH 2 @B 12 N 12 ( n =1–12) clusters

    Article • Nano Reviews, April 2011, Co-Action Publishing

    Dr Pratim Kumar Chattaraj

  60. Aromaticity and hydrogen storage capability of planar and rings

    Article • Chemical Physics Letters, April 2011, Elsevier

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj

  61. Toward analyzing some neutral and cationic boron-lithium clusters (B x Li y x = 2-6; y = 1, 2) as effective hydrogen storage ...

    Article • International Journal of Quantum Chemistry, March 2011, Wiley

    Dr Pratim Kumar Chattaraj

  62. Analyzing the efficiency of M n –(C2H4) (M = Sc, Ti, Fe, Ni; n = 1, 2) complexes as effective hydrogen storage materials

    Article • Structural Chemistry, March 2011, Springer Science + Business Media

    Dr Pratim Kumar Chattaraj

  63. Update 2 of: Electrophilicity Index

    Article • Chemical Reviews, February 2011, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  64. Role of aromaticity and charge of a system in its hydrogen trapping potential and vice versa

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

    Dr Pratim Kumar Chattaraj

  65. Aromaticity in all-metal annular systems: the counter-ion effect

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

    Dr Pratim Kumar Chattaraj

  66. Net reactivity index (Δω R±)

    Article • Journal of Physical Organic Chemistry, January 2011, Wiley

    Dr Pratim Kumar Chattaraj

  67. Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds

    Article • International Journal of Chemoinformatics and Chemical Engineering, January 2011, IGI Global

    Dr Pratim Kumar Chattaraj

  68. Hydrogen Storage in Clathrate Hydrates

    Article • The Journal of Physical Chemistry A, December 2010, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  69. A conceptual density functional study of structure, bonding, reactivity and the possibility of bond-stretch isomerism in some neutral sulfur clusters, Sn(n=3–8)

    Article • Journal of Sulfur Chemistry, August 2010, Taylor & Francis

    Dr Pratim Kumar Chattaraj

  70. Potential use of some metal clusters as hydrogen storage materials—a conceptual DFT approach

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

    Dr Pratim Kumar Chattaraj

  71. Catalyst electronic polarizability and enantiomeric excess in asymmetric hydrogenation

    Article • Tetrahedron, June 2010, Elsevier

    Dr Pratim Kumar Chattaraj

  72. Chemical Reactivity Theory: A Density Functional View

    Article • Journal of the American Chemical Society, May 2010, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  73. Electrophilicity Equalization Principle

    Article • The Journal of Physical Chemistry Letters, March 2010, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  74. Conceptual aspects of electron densities and density functionals

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

    Dr Pratim Kumar Chattaraj

  75. Electron Affinity, Electronegativity, and Electrophilicity of Atoms and Ions

    Article • Journal of Chemical & Engineering Data, February 2010, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  76. Synthesis, structure and electrochemical behaviour of Ru(ii)- and Pt(ii)-carbene complexes of the NCN-pincer 1,3-bis(2-pyridylmethyl)-1H-benzimidazolium chloride

    Article • New Journal of Chemistry, January 2010, Royal Society of Chemistry

    Dr. Joydev Dinda, Dr Pratim Kumar Chattaraj

  77. Trapping of noble gases (He–Kr) by the aromatic H3+ and Li3+ species: a conceptual DFT approach

    Article • New Journal of Chemistry, January 2010, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  78. Bonding, aromaticity, and structure of trigonal dianion metal clusters

    Article • Journal of Computational Chemistry, November 2009, Wiley

    Dr Gabriel Merino, Dr Pratim Kumar Chattaraj

  79. Net Electrophilicity

    Article • The Journal of Physical Chemistry A, August 2009, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  80. Arsenic toxicity: an atom counting and electrophilicity-based protocol

    Article • Molecular Diversity, March 2009, Springer Science + Business Media

    Dr Pratim Kumar Chattaraj

  81. Chemical Reactivity Theory

    Article • February 2009, Taylor & Francis

    Dr Pratim Kumar Chattaraj

  82. Color Plates

    Article • February 2009, Taylor & Francis

    Dr Pratim Kumar Chattaraj

  83. Electrophilicity index within a conceptual DFT framework

    Article • "Annual Reports Section ""C"" (Physical Chemistry)", January 2009, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  84. Bonding and aromaticity in an all-metal sandwich-like compound, <mml:math altimg="si1.gif" display="inline" overflow="scroll" xmlns:xocs="http://www.elsevier.com/xml/xocs/dtd" xmlns:xs="http://www.w3.org/2001/XMLSchema" xmlns:xsi="http://www.w3.org/...

    Article • Chemical Physics Letters, July 2008, Elsevier

    Dr Pratim Kumar Chattaraj

  85. ChemInform Abstract: Reactivity, Selectivity, and Aromaticity of Be32-and Its Complexes

    Article • ChemInform, May 2008, Wiley

    Dr Pratim Kumar Chattaraj

  86. An Atom Counting QSPR Protocol

    Article • QSAR & Combinatorial Science, March 2008, Wiley

    Dr Pratim Kumar Chattaraj

  87. Reactivity, Selectivity, and Aromaticity of Be32- and Its Complexes

    Article • The Journal of Physical Chemistry A, January 2008, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  88. Acidity of meta- and para-substituted aromatic acids: a conceptual DFT study

    Article • New Journal of Chemistry, January 2008, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  89. Aromaticity in cyclic alkali clusters

    Article • Physical Chemistry Chemical Physics, January 2008, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj, Manish Bhattacharjee

  90. Interconnect Slew Metric Using Nakagami-M Distribution

    Article • January 2008, Institute of Electrical & Electronics Engineers (IEEE)

    Dr Pratim Kumar Chattaraj

  91. Stability, Reactivity, and Aromaticity of Compounds of a Multivalent Superatom

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

    Dr Pratim Kumar Chattaraj

  92. Update 1 of: Electrophilicity Index

    Article • Chemical Reviews, September 2007, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  93. Aromaticity in Polyacene Analogues of Inorganic Ring Compounds

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

    Dr Pratim Kumar Chattaraj

  94. Using QSPR Models to Predict the Enthalpy of Vaporization of 209 Polychlorinated Biphenyl Congeners

    Article • QSAR & Combinatorial Science, February 2007, Wiley

    Dr Pratim Kumar Chattaraj

  95. Further links between the maximum hardness principle and the hard/soft acid/base principle: insights from hard/soft exchange reactions

    Article • Physical Chemistry Chemical Physics, January 2007, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  96. Synthesis and structure of 1-D Na6cluster chain with short Na–Na distance: Organic like aromaticity in inorganic metal cluster

    Article • Chemical Communications, January 2007, Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  97. A Possible Union of Chemical Bonding, Reactivity, and Kinetics

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

    Dr Pratim Kumar Chattaraj

  98. Electrophilicity Index

    Article • ChemInform, September 2006, Wiley

    Dr Pratim Kumar Chattaraj, Dr Utpal Sarkar, Utpal Sarkar

  99. Minimum magnetizability principle

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

    Dr Pratim Kumar Chattaraj

  100. Electrophilicity Index

    Article • Chemical Reviews, May 2006, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj, Dr Utpal Sarkar, Utpal Sarkar

  101. Intermolecular ligand exchange in alkyltin trihalides: Semiempirical and density functional theory calculations

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

    Dr Pratim Kumar Chattaraj

  102. Comparison between the frozen core and finite differences approximations for the generalized spin-dependent global and local reactivity descriptors in small molecules

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

    Dr Pratim Kumar Chattaraj

  103. Cracking of n-heptane in HZSM-5 zeolite

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

    Dr Pratim Kumar Chattaraj

  104. A philicity based analysis of adsorption of small molecules in zeolites

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

    Dr Pratim Kumar Chattaraj

  105. The maximum hardness principle implies the hard/soft acid/base rule

    Article • The Journal of Chemical Physics, August 2005, American Institute of Physics

    Dr Pratim Kumar Chattaraj

  106. Substituent Effects

    Article • The Journal of Physical Chemistry A, June 2005, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  107. Local Descriptors around a Transition State:  A Link between Chemical Bonding and Reactivity

    Article • The Journal of Physical Chemistry A, April 2005, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  108. Is the Fukui Function a Right Descriptor of Hard−Hard Interactions?

    Article • The Journal of Physical Chemistry A, March 2004, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  109. Variation of the Electrophilicity Index along the Reaction Path

    Article • The Journal of Physical Chemistry A, August 2003, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  110. HSAB Principle Applied to the Time Evolution of Chemical Reactions

    Article • Journal of the American Chemical Society, January 2003, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  111. A Density Functional Study of the Claisen Rearrangement of Allyl Aryl Ether, Allyl Arylamine, Allyl Aryl Thio Ether, and a Series of Meta-Substituted Molecules through Reactivity and Selectivity Profiles

    Article • The Journal of Physical Chemistry A, October 2002, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  112. Theoretical study of the trans-N2H2→cis-N2H2 and F2S2→FSSF reactions in gas and solution phases.

    Article • Journal of Molecular Structure THEOCHEM, March 2002, Elsevier

    Dr Pratim Kumar Chattaraj

  113. Scrutiny of the HSAB Principle in Some Representative Acid−Base Reactions

    Article • The Journal of Physical Chemistry A, August 2001, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  114. Ab Initio SCF and DFT Studies on Solvent Effects on Intramolecular Rearrangement Reactions

    Article • The Journal of Physical Chemistry A, April 2001, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  115. Molecular Electronic Excitations and the Minimum Polarizability Principle

    Article • The Journal of Physical Chemistry A, March 2000, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  116. Atoms-in-molecules partitioning of a molecular density

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

    Dr Pratim Kumar Chattaraj

  117. Woodward−Hoffmann Rule in the Light of the Principles of Maximum Hardness and Minimum Polarizability:  DFT and Ab Initio SCF Studies

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

    Dr Pratim Kumar Chattaraj

  118. Chemical bonding and reactivity: a local thermodynamic viewpoint

    Article • Chemical Physics Letters, November 1999, Elsevier

    Dr Pratim Kumar Chattaraj

  119. Validity of the Minimum Polarizability Principle in Molecular Vibrations and Internal Rotations:  An ab Initio SCF Study

    Article • The Journal of Physical Chemistry A, November 1999, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  120. Exchange?correlation potential and excited-state density functional theory

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

    Dr Pratim Kumar Chattaraj

  121. Fukui function from a gradient expansion formula, and estimate of hardness and covalent radius for an atom

    Article • The Journal of Chemical Physics, December 1995, American Institute of Physics

    Dr Pratim Kumar Chattaraj

  122. The maximum hardness principle in the Gyftopoulos-Hatsopoulos three-level model for an atomic or molecular species and its positive and negative ions

    Article • Chemical Physics Letters, May 1995, Elsevier

    Dr Pratim Kumar Chattaraj

  123. An ab initio study resulting in a greater understanding of the HSAB principle

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

    Dr Pratim Kumar Chattaraj

  124. Principle of maximum hardness

    Article • Journal of the American Chemical Society, February 1991, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  125. HSAB principle

    Article • Journal of the American Chemical Society, February 1991, American Chemical Society (ACS)

    Dr Pratim Kumar Chattaraj

  126. Aspects of the Softness and Hardness Concepts of Density-Functional Theory

    Article • Israel Journal of Chemistry, January 1991, Wiley

    Dr Pratim Kumar Chattaraj

  127. Aromaticity and conceptual density functional theory

    Article • Royal Society of Chemistry

    Dr Pratim Kumar Chattaraj

  128. Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds

    Article • IGI Global

    Dr Pratim Kumar Chattaraj

  129. Density functional theory of chemical hardness

    Article • Springer Science + Business Media

    Dr Pratim Kumar Chattaraj

  130. Modeling Ecotoxicity as Applied to some Selected Aromatic Compounds

    Article • IGI Global

    Dr Pratim Kumar Chattaraj