Items where Author is "Chattaraj, P. K."

Article

Homray, Manoswita ; Mondal, Sukanta ; Misra, Anirban ; Chattaraj, P. K. (2019) Bond stretch isomerism in Be32−driven by the Renner–Teller effect Physical Chemistry Chemical Physics, 21 (15). pp. 7996-8003. ISSN 1463-9076

Mondal, S. ; Srinivasu, K. ; Ghosh, Swapan K. ; Chattaraj, P. K. (2013) Isomers of C12N12 as potential hydrogen storage materials and the effect of the electric field therein RSC Advances, 3 (19). p. 6991. ISSN 2046-2069

Mondal, S. ; Ghosh, S. ; Chattaraj, P. K. (2013) A molecular dynamics study on sI hydrogen hydrate Journal of Molecular Modeling, 19 (7). pp. 2785-2790. ISSN 1610-2940

Gupta, Kartick ; Giri, Santanab ; Chattaraj, P. K. (2012) Charge-based DFT descriptors for Diels-Alder reactions Journal of Physical Organic Chemistry, 26 (2). pp. 187-193. ISSN 08943230

Chattaraj, P. K. ; Poddar, A. ; Maiti, B. (2012) Chemical Reactivity and Dynamics within a Density-based Quantum Mechanical Framework Reviews of Modern Quantum Chemistry . pp. 871-935.

Srinivasu, K. ; Ghosh, Swapan K. ; Das, R. ; Giri, S. ; Chattaraj, P. K. (2012) Theoretical investigation of hydrogen adsorption in all-metal aromatic clusters RSC Advances, 2 (7). p. 2914. ISSN 2046-2069

Vigneresse, J. L. ; Duley, S. ; Chattaraj, P. K. (2011) Describing the chemical character of a magma Chemical Geology, 287 (1-2). pp. 102-113. ISSN 0009-2541

Jaccob, M. ; Sheeba Jem, I. ; Giri, Santanab ; Venuvanalingam, P. ; Chattaraj, P. K. (2011) Application of activation hardness in perturbed pericyclic reactions: a case study involving electrocyclic ring opening reactions of heterocyclobutenes Journal of Physical Organic Chemistry, 24 (6). pp. 460-465. ISSN 0894-3230

Pandith, Altaf Hussain ; Giri, S. ; Chattaraj, P. K. (2010) A comparative study of two quantum chemical descriptors in predicting toxicity of aliphatic compounds towards tetrahymena pyriformis Organic Chemistry International, 2010 . pp. 545087_1-545087_17. ISSN 2090-200X

Chakraborty, A. ; Giri, S. ; Chattaraj, P. K. (2009) Structure, bonding, reactivity and aromaticity of some selected Zn-clusters Journal of Molecular Structure (Theochem), 913 (1-3). pp. 70-79. ISSN 0166-1280

Sarkar, U. ; Giri, S. ; Chattaraj, P. K. (2009) Dirichlet boundary conditions and effect of confinement on chemical reactivity The Journal of Physical Chemistry A, 113 (40). pp. 10759-10766. ISSN 1089-5639

Duley, S. ; Giri, S. ; Chakraborty, A. ; Chattaraj, P. K. (2009) Bonding, aromaticity and reactivity patterns in some all-metal and non-metal clusters Journal of Chemical Sciences, 121 (5). pp. 849-858. ISSN 0253-4134

Chattaraj, P. K. ; Sarkar, U. ; Roy, D. R. (2009) Electronic structure principles and aromaticity Journal of Chemical Education, 84 (2). p. 354. ISSN 0021-9584

Vijayaraj, R. ; Subramanian, V. ; Chattaraj, P. K. (2009) Comparison of global descriptors calculated using various density functionals: a QSAR perspective Journal of Chemical Theory and Computation, 5 (10). pp. 2744-2753. ISSN 1549-9618

Chattaraj, P. K. ; Giri, S. (2009) Multi-decker sandwich complexes using Be₃^2- and Mg₃^2- dianions International Journal of Quantum Chemistry, 109 (11). pp. 2373-2382. ISSN 0020-7608

Chattaraj, P. K. ; Giri, S. (2008) Variation in aromaticity and bonding patterns in a reaction cycle involving Be₃^2- and Mg₃^2- dianions Journal of Molecular Structure (Theochem), 865 (1-3). pp. 53-56. ISSN 0166-1280

Roy, D. R. ; Bultinck, P. ; Subramanian, V. ; Chattaraj, P. K. (2008) Bonding, reactivity and aromaticity in the light of the multicenter indices Journal of Molecular Structure (Theochem), 854 (1-3). pp. 35-39. ISSN 0166-1280

De Proft, F. ; Chattaraj, P. K. ; Ayers, P. W. ; Torrent-Sucarrat, M. ; Elango, M. ; Subramanian, V. ; Giri, S. ; Geerlings, P. (2008) Initial hardness response and hardness profiles in the study of Woodward-Hoffmann rules for electrocyclizations Journal of Chemical Theory and Computation, 4 (4). pp. 595-602. ISSN 1549-9618

Chattaraj, P. K. ; Sengupta, S. ; Giri, S. (2008) Quantum-classical correspondence of a field induced KAM-type transition: a QTM approach Journal of Chemical Sciences, 120 (1). pp. 33-37. ISSN 0253-4134

Roy, D. R. ; Pal, N. ; Mitra, A. ; Bultinck, P. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) An atom counting strategy towards analyzing the biological activity of sex hormones European Journal of Medicinal Chemistry, 42 (11-12). pp. 1365-1369. ISSN 0223-5234

Chattaraj, P. K. ; Roy, D. R. ; Giri, S. (2007) Electronic structure principles in static and dynamic situations Computing Letters, 3 (2-4). pp. 223-230. ISSN 1574-0404

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) Chemical reactivity patterns of [n]paracyclophanes Journal of Molecular Structure (Theochem), 820 (1-3). pp. 1-6. ISSN 0166-1280

Chattaraj, P. K. ; Roy, D. R. ; Giri, S. ; Mukherjee, S. ; Subramanian, V. ; Parthasarathi, R. ; Bultinck, P. ; Van Damme, S. (2007) An atom counting and electrophilicity based QSTR approach Journal of Chemical Sciences, 119 (5). pp. 475-488. ISSN 0253-4134

Chattaraj, P. K. ; Arun Murthy, T. V. S. ; Giri, S. ; Roy, D. R. (2007) A connection between softness and magnetizability Journal of Molecular Structure (Theochem), 813 (1-3). pp. 63-65. ISSN 0166-1280

Gupta, K. ; Roy, D. R. ; Subramanian, V. ; Chattaraj, P. K. (2007) Are strong Bronsted acids necessarily strong Lewis acids? Journal of Molecular Structure, 812 (1-3). pp. 13-24. ISSN 0166-1280

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) Philicity based Site Activation Model towards understanding the Markovnikov regioselectivity rule Journal of Molecular Structure (Theochem), 804 (1-3). pp. 17-20. ISSN 0166-1280

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) Electrophilicity-based charge transfer descriptor The Journal of Physical Chemistry A, 111 (7). pp. 1358-1361. ISSN 1089-5639

Chattaraj, P. K. ; Sarkar, U. (2007) Chemical reactivity dynamics in ground and excited electronic states Journal of Theoretical and Computational Chemistry, 19 . pp. 269-286. ISSN 0219-6336

Padmanabhan, J. ; Parthasarathi, R. ; Elango, M. ; Subramanian, V. ; Krishnamoorthy, B. S. ; Gutierrez-Oliva, S. ; Toro-Labbe, A. ; Roy, D. R. ; Chattaraj, P. K. (2007) A multiphilic descriptor for chemical reactivity and selectivity Journal of Physical Chemistry A, 111 (37). pp. 9130-9138. ISSN 1089-5639

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Chemical information insights into the series of chloroanisoles - A theoretical approach Journal of Molecular Structure (Theochem), 774 (1-3). pp. 49-57. ISSN 0166-1280

Roy, D. R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Nucleophilicity/electrophilicity excess in analyzing molecular electronics Indian Journal of Chemistry - Section A, 45 . pp. 2369-2380. ISSN 0376-4710

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Theoretical study on the complete series of chloroanilines The Journal of Physical Chemistry A, 110 (32). pp. 9900-9907. ISSN 1089-5639

Parthasarathi, R. ; Padmanabhan, J. ; Elango, M. ; Chitra, K. ; Subramanian, V. ; Chattaraj, P. K. (2006) Pk_a prediction using group philicity Journal of Physical Chemistry A, 110 (20). pp. 6540-6544. ISSN 1089-5639

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Group philicity and electrophilicity as possible descriptors for modeling ecotoxicity applied to chlorophenols Chemical Research in Toxicology, 19 (3). pp. 356-364. ISSN 0893-228X

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Chemical reactivity indices for the complete series of chlorinated benzenes: solvent effect Journal of Physical Chemistry A, 110 (8). pp. 2739-2745. ISSN 1089-5639

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) QSPR models for polychlorinated biphenyls: n-Octanol/water partition coefficient Bioorganic & Medicinal Chemistry, 14 (4). pp. 1021-1028. ISSN 0968-0896

Chattaraj, P. K. ; Roy, D. R. ; Elango, M. ; Subramanian, V. (2006) Chemical reactivity descriptor based aromaticity indices applied to Al₄²⁻ and Al₄⁴⁻ systems Journal of Molecular Structure (Theochem), 759 (1-3). pp. 109-110. ISSN 0166-1280

Roy, D. R. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) An electrophilicity based analysis of toxicity of aromatic compounds towards tetrahymena pyriformis QSAR & Combinatorial Science, 25 (2). pp. 114-122. ISSN 0931-8771

Sarkar, U. ; Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Toxicity analysis of polychlorinated dibenzofurans through global and local electrophilicities Journal of Molecular Structure (Theochem), 758 (2-3). pp. 119-125. ISSN 0166-1280

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Alkylation of enolates: an electrophilicity perspective International Journal of Quantum Chemistry, 106 (4). pp. 852-862. ISSN 0020-7608

Roy, D. R. ; Sarkar, U. ; Chattaraj, P. K. ; Mitra, A. ; Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Van Damme, S. ; Bultinck, P. (2006) Analyzing toxicity through electrophilicity Molecular Diversity, 10 (2). pp. 119-131. ISSN 1381-1991

Parthasarathi, R. ; Elango, M. ; Padmanabhan, J. ; Subramanian, V. ; Roy, D. R. ; Sarkar, U. ; Chattaraj, P. K. (2006) Application of quantum chemical descriptors in computational medicinal chemistry and chemoinformatics Indian Journal of Chemistry - Section A: Inorganic, Physical, Theoretical and Analytical Chemistry, 45 (1). pp. 111-125. ISSN 0376-4710

Roy, D. R. ; Parthasarathi, R. ; Padmanabhan, J. ; Sarkar, U. ; Subramanian, V. ; Chattaraj, P. K. (2006) Careful scrutiny of the philicity concept Journal of Physical Chemistry A, 110 (03). pp. 1084-1093. ISSN 1089-5639

Chattaraj, P. K. ; Sarkar, U. ; Roy, D. R. ; Elango, M. ; Parthasarathi, R. ; Subramanian, V. (2006) Is electrophilicity a kinetic or a thermodynamic concept? Indian Journal of Chemistry - Section A: Inorganic, Physical, Theoretical and Analytical Chemistry, 45 (5). pp. 1099-1112. ISSN 0376-4710

Parthasarathi, R. ; Padmanabhan, J. ; Elango, M. ; Chitra, K. ; Subramanian, V. ; Chattaraj, P. K. (2006) pKa Prediction Using Group Philicity The Journal of Physical Chemistry A, 110 (20). pp. 6540-6544. ISSN 1089-5639

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2005) Chemical reactivity analysis on 33'44'55'-hexa chlorobiphenyl-A DFT approach Journal of Molecular Structure (Theochem), 730 (1-3). pp. 221-226. ISSN 0166-1280

Sarkar, U. ; Roy, D. R. ; Chattaraj, P. K. ; Parthasarathi, R. ; Padmanabhan, J. ; Subramanian, V. (2005) A conceptual DFT approach towards analysing toxicity Journal of Chemical Sciences, 117 (5). pp. 599-612. ISSN 0253-4134

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Sarkar, U. ; Chattaraj, P. K. (2005) Formaldehyde decomposition through profiles of global reactivity indices Journal of Molecular Structure (Theochem), 723 (1-3). pp. 43-52. ISSN 0166-1280

Roy, D. R. ; Parthasarathi, R. ; Maiti, B. ; Subramanian, V. ; Chattaraj, P. K. (2005) Electrophilicity as a possible descriptor for toxicity prediction Bioorganic & Medicinal Chemistry, 13 (10). pp. 3405-3412. ISSN 0968-0896

Elango, M. ; Parthasarathi, R. ; Karthik Narayanan, G. ; Sabeelullah, A. Md. ; Sarkar, U. ; Venkatasubramaniyan, N. S. ; Subramanian, V. ; Chattaraj, P. K. (2005) Relationship between electrophilicity index, Hammett constant and nucleus-independent chemical shift Journal of Chemical Sciences, 117 (1). pp. 61-65. ISSN 0253-4134

Chattaraj, P. K. ; Sarkar, U. ; Parthasarathi, R. ; Subramanian, V. (2005) DFT study of some aliphatic amines using generalized philicity concept International Journal of Quantum Chemistry, 101 (6). pp. 690-702. ISSN 0020-7608

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2005) Molecular structure, reactivity, and toxicity of the complete series of chlorinated benzenes The Journal of Physical Chemistry A, 109 (48). pp. 11043-11049. ISSN 1089-5639

Chattaraj, P. K. ; Roy, D. R. ; Elango, M. ; Subramanian, V. (2005) Stability and reactivity of all-metal aromatic and antiaromatic systems in light of the principles of maximum hardness and minimum polarizability Journal of Physical Chemistry A, 109 (42). pp. 9590-9597. ISSN 1089-5639

Parthasarathi, R. ; Elango, M. ; Subramanian, V. ; Chattaraj, P. K. (2005) Variation of electrophilicity during molecular vibrations and internal rotations Theoretical Chemistry Accounts: Theory, Computation, and Modeling / Theoretica Chimica Acta, 113 (5). pp. 257-266. ISSN 1432-881X

Parthasarathi, R. ; Subramanian, V. ; Roy, D. R. ; Chattaraj, P. K. (2004) Electrophilicity index as a possible descriptor of biological activity Bioorganic & Medicinal Chemistry, 12 (21). pp. 5533-5543. ISSN 0968-0896

Parthasarathi, R. ; Padmanabhan, J. ; Elango, M. ; Subramanian, V. ; Chattaraj, P. K. (2004) Intermolecular reactivity through the generalized philicity concept Chemical Physics Letters, 394 (4-6). pp. 225-230. ISSN 0009-2614

Parthasarathi, R. ; Padmanabhan, J. ; Subramanian, V. ; Maiti, B. ; Chattaraj, P. K. (2004) Toxicity analysis of 33'44'5-pentachloro biphenyl through chemical reactivity and selectivity profiles Current Science, 86 (4). pp. 535-542. ISSN 0011-3891

Padmanabhan, J. ; Parthasarathi, R. ; Sarkar, U. ; Subramanian, V. ; Chattaraj, P. K. (2004) Effect of solvation on the condensed Fukui function and the generalized philicity index Chemical Physics Letters, 383 (1-2). pp. 122-128. ISSN 0009-2614

Chattaraj, P. K. ; Maiti, B. ; Sengupta, S. (2004) Quantum analogue of the Kolmogorov-Arnold-Moser transition in different quantum anharmonic oscillators International Journal of Quantum Chemistry, 100 (3). pp. 254-276. ISSN 0020-7608

Chattaraj, P. K. ; Maiti, B. (2004) Regioselectivity in the chemical reactions between molecules and protons: a quantum fluid density functional study Journal of Physical Chemistry A, 108 (4). pp. 658-664. ISSN 1089-5639

Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2003) Effect of electric field on the global and local reactivity indices Chemical Physics Letters, 382 (1-2). pp. 48-56. ISSN 0009-2614

Chattaraj, P. K. ; Maiti, B. ; Sarkar, U. (2003) Chemical reactivity of the compressed noble gas atoms and their reactivity dynamics during collisions with protons Journal of Chemical Sciences, 115 (3). pp. 195-218. ISSN 0253-4134

Chattaraj, P. K. ; Sarkar, U. (2003) Chemical reactivity of the spherically confined atoms Chemical Physics Letters, 372 (5-6). pp. 805-809. ISSN 0009-2614

Parthasarathi, R. ; Padmanabhan, J. ; Subramanian, V. ; Maiti, B. ; Chattaraj, P. K. (2003) Chemical reactivity profiles of two selected polychlorinated biphenyls Journal of Physical Chemistry A, 107 (48). pp. 10346-10352. ISSN 1089-5639

Chattaraj, P. K. ; Sarkar, U. (2003) Effect of spherical confinement on chemical reactivity Journal of Physical Chemistry A, 107 (24). pp. 4877-4882. ISSN 1089-5639

Chattaraj, P. K. ; Sarkar, U. (2003) Ground- and excited-states reactivity dynamics of hydrogen and helium atoms International Journal of Quantum Chemistry, 91 (5). pp. 633-650. ISSN 0020-7608

Chattaraj, P. K. ; Sarkar, U. (2003) Ground- and excited-states reactivity dynamics of hydrogen and helium atoms International Journal of Quantum Chemistry, 91 (5). pp. 633-650. ISSN 0020-7608

Chattaraj, P. K. ; Sengupta, S. ; Maiti, B. ; Sarkar, U. (2002) Quantum analogue of the Kolmogorov-Arnold-Moser transition in the field induced barrier penetration in a quartic potential Current Science, 82 (5). pp. 541-547. ISSN 0011-3891

Chattaraj, P. K. ; Maiti, B. (2002) Chemical reactivity dynamics and quantum chaos in highly excited hydrogen atoms in an external field: a quantum potential approach International Journal of Molecular Sciences, 3 (4). pp. 338-359. ISSN 1422-0067

Chattaraj, P. K. (2001) Chemical reactivity and selectivity: local HSAB principle versus frontier orbital theory The Journal of Physical Chemistry A, 105 (2). pp. 511-513. ISSN 1089-5639

Chattaraj, P. K. ; Maiti, B. (2001) Electronic structure principles and atomic shell structure Journal of Chemical Education, 78 (6). p. 811. ISSN 0021-9584

Chattaraj, P. K. ; Sengupta, S. ; Poddar, A. (2000) Quantum fluid density functional theory of chemical reactivity in a two-state ensemble Journal of Molecular Structure (Theochem), 501-502 . pp. 339-352. ISSN 0166-1280

Chattaraj, P. K. ; Maiti, B. (2000) Reactivity dynamics in atom-field interactions: a quantum fluid density functional study Journal of Physical Chemistry A, 105 (1). pp. 169-183. ISSN 1089-5639

Chattaraj, P. K. ; Sengupta, S. ; Poddar, A. (1999) Quantum signature of the classical chaos in the field-induced barrier crossing in a quartic potential Current Science, 76 (10). pp. 1371-1376. ISSN 0011-3891

Chattaraj, P. K. ; Sengupta, S. (1999) Chemical hardness as a possible diagnostic of the chaotic dynamics of Rydberg atoms in an external field Journal of Physical Chemistry A, 103 (31). pp. 6122-6126. ISSN 1089-5639

Chattaraj, P. K. ; Poddar, A. (1999) Chemical reactivity and excited-state density functional theory Journal of Physical Chemistry A, 103 (9). pp. 1274-1275. ISSN 1089-5639

Chattaraj, P. K. ; Poddar, A. (1999) Molecular reactivity in the ground and excited electronic states through density-dependent local and global reactivity parameters Journal of Physical Chemistry A, 103 (43). pp. 8691-8699. ISSN 1089-5639

Chattaraj, P. K. ; Sengupta, S. ; Poddar, A. (1998) Chaotic dynamics of some quantum anharmonic oscillators Current Science, 74 (9). pp. 758-764. ISSN 0011-3891

Chattaraj, P. K. ; Sengupta, S. ; Poddar, A. (1998) Quantum fluid density functional theory of time-dependent processes International Journal of Quantum Chemistry, 69 (3). pp. 279-291. ISSN 0020-7608

Chattaraj, P. K. ; Poddar, A. (1998) A density functional treatment of chemical reactivity and the associated electronic structure principles in the excited electronic states Journal of Physical Chemistry A, 102 (48). pp. 9944-9948. ISSN 1089-5639

Chattaraj, P. K. ; Sengupta, S. (1997) Dynamics of chemical reactivity indices for a many-electron system in its ground and excited states Journal of Physical Chemistry A, 101 (42). pp. 7893-7900. ISSN 1089-5639

Chattaraj, P. K. ; Sengupta, S. (1996) Quantum chaos in Rydberg atoms: a quantum potential approach Current Science, 71 (2). pp. 134-139. ISSN 0011-3891

Sengupta, S. ; Chattaraj, P. K. (1996) The quantum theory of motion and signatures of chaos in the quantum behaviour of a classically chaotic system Physics Letters A, 215 (3-4). pp. 119-127. ISSN 0375-9601

Chattaraj, P. K. ; Sengupta, S. (1996) Popular electronic structure principles in a dynamical context Journal of Physical Chemistry A, 100 (40). pp. 16126-16130. ISSN 1089-5639

Chattaraj, P. K. ; Nath, S. (1995) Propagation of a wavepacket on a model fractal lattice Pramana - Journal of Physics, 45 (6). pp. 545-560. ISSN 0304-4289

Nath, S. ; Bhattacharya, S. ; Chattaraj, P. K. (1995) Density functional calculation of a characteristic atomic radius Journal of Molecular Structure (Theochem), 331 (3). pp. 267-279. ISSN 0166-1280

Nath, S. ; Chattaraj, P. K. (1995) Electronegativity and hardness profiles of a chemical process: comparison between quantum fluid density functional theory and ab initio SCF method Pramana - The Journal of Physics, 45 (1). pp. 65-73. ISSN 0304-4289

Chattaraj, P. K. ; Sebastian, K. L. (1995) Solitons in a ring : a theoretical model for psedudorotation? Journal of the Indian Chemical Society, 72 (8). pp. 521-524. ISSN 0019-4522

Chattaraj, P. K. ; Nath, S. ; Sannigrahi, A. B. (1994) Hardness, chemical potential, and valency profiles of molecules under internal rotations Journal of Physical Chemistry, 98 (37). pp. 9143-9145. ISSN 0022-3654

Nath, S. ; Sannigrahi, A. B. ; Chattaraj, P. K. (1994) Hardness and bond index profiles of hydrogen-bonded complexes with single-minimum and double-minimum potentials Journal of Molecular Structure (Theochem), 309 (1). pp. 65-77. ISSN 0166-1280

Chattaraj, P. K. ; Nath, S. (1994) A dynamical study of the principle of maximum hardness Proceedings of the Indian Academy of Sciences - Chemical Sciences, 106 (2). pp. 229-249. ISSN 0253-4134

Chattaraj, P. K. ; Nath, S. (1994) Electronegativity dynamics in a chemical reaction International Journal of Quantum Chemistry, 49 (5). pp. 705-725. ISSN 0020-7608

Chattaraj, P. K. ; Nath, S. (1994) Hardness dynamics in a chemical reaction Chemical Physics Letters, 217 (3). pp. 342-348. ISSN 0009-2614

Chattaraj, P. K. ; Sengupta, S. (1993) Quantum fluid dynamics of a classically chaotic oscillator Physics Letters A, 181 (3). pp. 225-231. ISSN 0375-9601

Chattaraj, P. K. ; Nath, S. ; Sannigrahi, A. B. (1993) Ab initio SCF study of maximum hardness and maximum molecular valency principles Chemical Physics Letters, 212 (3-4). pp. 223-230. ISSN 0009-2614

Nath, S. ; Nandi, P. K. ; Sannigrahi, A. B. ; Chattaraj, P. K. (1993) Effect of basis sets and population analysis schemes on the calculation of group electronegativity Journal of Molecular Structure (Theochem), 279 . pp. 207-211. ISSN 0166-1280

Chattaraj, P. K. (1993) A new self-consistent method for calculating chemical hardness and other energy derivatives Journal of the Indian Chemical Society, 70 (2). pp. 103-105. ISSN 0019-4522

Chattaraj, P. K. (1992) Quantum fluid density functional theory of helium atom in an intense laser field International Journal of Quantum Chemistry, 41 (6). pp. 845-849. ISSN 0020-7608

Deb, B. M. ; Chattaraj, P. K. (1992) Thomas-fermi-type method for the direct calculation of electronic densities and properties of atoms and ions Physical Review A, 45 (3). pp. 1412-1419. ISSN 1050-2947

Zhou, Zhongxiang ; Chattaraj, P. K. ; Parr, Robert G. ; Lee, Chengteh (1992) First-order gradient correction for the exchange-energy density functional for atoms Theoretical Chemistry Accounts: Theory, Computation, and Modeling / Theoretica Chimica Acta, 84 (3). pp. 237-243. ISSN 1432-881X

Chattaraj, P. K. (1991) Atomic and molecular properties from the density functional definition of electronegativity Current Science, 61 (6). p. 391. ISSN 0011-3891

Chattaraj, P. K. ; Nandi, P. K. ; Sannigrahi, A. B. (1991) Improved hardness parameters for molecules Proceedings of the Indian Academy of Sciences - Chemical Sciences, 103 (4). pp. 583-589. ISSN 0253-4134

Deb, B. M. ; Chattaraj, P. K. ; Mishra, Smitarani (1991) Time-dependent quantum-fluid density-functional study of high-energy proton-helium collisions Physical Review A, 43 (3). pp. 1248-1257. ISSN 1050-2947

Harbola, M. K. ; Chattaraj, P. K. ; Parr, R. G. (1991) Aspects of the softness and hardness concepts of Density-Functional theory Israel Journal of Chemistry, 31 (4). pp. 395-402. ISSN 0021-2148

Chattaraj, P. K. (1990) Scattering of a structureless particle from different model Euclidean and non-Euclidean lattices Chemical Physics Letters, 175 (6). pp. 613-615. ISSN 0009-2614

Chattaraj, P. K. (1990) First-gradient corrections in Thomas-Fermi theory Physical Review A, 41 (11). pp. 6505-6508. ISSN 1050-2947

Chattaraj, P. K. (1990) Nonlinear Chemical Dynamics Symmetries and Singularity Structures . pp. 172-182. ISSN 0939-7426

Chattaraj, P. K. ; Sannigrahi, A. B. (1990) A simple group-theoretical derivation of the selection rules for rotational transitions Journal of Chemical Education, 67 (8). p. 653. ISSN 0021-9584

Deb, B. M. ; Chattaraj, P. K. (1989) Density-functional and hydrodynamical approach to ion-atom collisions through a new generalized nonlinear schrodinger equation Physical Review A, 39 (4). pp. 1696-1713. ISSN 1050-2947

Chattaraj, P. K. (1989) A pseudo-scattering technique for bound state calculation within density functional theory Chemical Physics Letters, 154 (6). pp. 541-543. ISSN 0009-2614

Deb, B. M. ; Chattaraj, P. K. (1988) Quantum fluid density functional theory of time-dependent phenomena: ion-atom collisions Chemical Physics Letters, 148 (6). pp. 550-556. ISSN 0009-2614

Deb, B. M. ; Chattaraj, P. K. (1988) New quadratic nondifferential Thomas-Fermi-Dirac-type equation for atoms Physical Review A, 37 (10). pp. 4030-4033. ISSN 1050-2947

Singl, Harjinder ; Chattaraj, P. K. (1988) Scattering from a model fractal lattice of dimension less than one Physics Letters A, 128 (6-7). pp. 355-359. ISSN 0375-9601

Deb, B. M. ; Chattaraj, P. K. (1988) Generalized Nonlinear Schrödinger Equations in Quantum Fluid Dynamics Solitons . pp. 359-365. ISSN 0940-2535

Chattaraj, P. K. ; Rao, S. Koneru ; Deb, B. M. (1987) Stability analysis of finite difference schemes for quantum mechanical equations of motion Journal of Computational Physics, 72 (2). pp. 504-512. ISSN 0021-9991

Deb, B. M. ; Chattaraj, P. K. (1987) How can density functional theory be excited from the ground state? Proceedings of the Indian Academy of Sciences - Chemical Sciences, 99 (1-2). pp. 67-72. ISSN 0253-4134

Chattaraj, P. K. ; Mukherjee, A. ; Das, M. P. ; Deb, B. M. (1986) Improved z-dependence of the ground-state energies of neutral atoms Proceedings of the Indian Academy of Sciences - Chemical Sciences, 96 (3-4). pp. 231-239. ISSN 0253-4134

Deb, B. M. ; Chattaraj, P. K. (1986) Comments on the correlation between the weizsäcker correction and the binding energy of diatomic molecules Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 69 (3). pp. 259-263. ISSN 1432-881X

Chattaraj, P. K. ; Deb, B. M. (1985) Uncertainty corrections to the thomas-fermi theory Chemical Physics Letters, 121 (1-2). pp. 143-146. ISSN 0009-2614

Haq, S. ; Chattaraj, P. K. ; Deb, B. M. (1984) A new form for the kinetic energy-density functional for many-electron systems Chemical Physics Letters, 111 (1-2). pp. 79-81. ISSN 0009-2614