Prati
Pratim Kumar Chattaraj
Pratim Kumar Chattaraj
Distinguished Visiting Professor, Department of Chemistry, Birla Institute of Technology Mesra
Potvrđena adresa e-pošte na bitmesra.ac.in
Naslov
Citirano
Citirano
Godina
Update 1 of: electrophilicity index
PK Chattaraj, DR Roy
Chemical reviews 107 (9), PR46-PR74, 2007
20412007
Principle of maximum hardness
RG Parr, PK Chattaraj
Journal of the American Chemical Society 113 (5), 1854-1855, 1991
15201991
Philicity: a unified treatment of chemical reactivity and selectivity
PK Chattaraj, B Maiti, U Sarkar
The Journal of Physical Chemistry A 107 (25), 4973-4975, 2003
8852003
HSAB principle
PK Chattaraj, H Lee, RG Parr
Journal of the American Chemical Society 113 (5), 1855-1856, 1991
6681991
Electrophilicity-based charge transfer descriptor
J Padmanabhan, R Parthasarathi, V Subramanian, PK Chattaraj
The Journal of Physical Chemistry A 111 (7), 1358-1361, 2007
4962007
Chemical reactivity theory: a density functional view
PK Chattaraj
CRC press, 2009
4762009
Electrophilicity index as a possible descriptor of biological activity
R Parthasarathi, V Subramanian, DR Roy, PK Chattaraj
Bioorganic & medicinal chemistry 12 (21), 5533-5543, 2004
4322004
Popular electronic structure principles in a dynamical context
PK Chattaraj, S Sengupta
The Journal of Physical Chemistry 100 (40), 16126-16130, 1996
4081996
Variation of the electrophilicity index along the reaction path
E Chamorro, PK Chattaraj, P Fuentealba
The Journal of Physical Chemistry A 107 (36), 7068-7072, 2003
3302003
Conceptual density functional theory: status, prospects, issues
P Geerlings, E Chamorro, PK Chattaraj, F De Proft, JL Gázquez, S Liu, ...
Theoretical Chemistry Accounts 139 (2), 36, 2020
3212020
Stability, reactivity, and aromaticity of compounds of a multivalent superatom
PK Chattaraj, S Giri
The journal of physical chemistry A 111 (43), 11116-11121, 2007
2932007
<? ACS-CT-START-Insert?> Update 2 of:<? ACS-CT-END-Insert?> Electrophilicity Index
PK Chattaraj, ...
Chemical reviews 111 (2), PR43-PR75, 2011
2882011
Intermolecular reactivity through the generalized philicity concept
R Parthasarathi, J Padmanabhan, M Elango, V Subramanian, ...
Chemical physics letters 394 (4-6), 225-230, 2004
2712004
Chemical reactivity and selectivity: local HSAB principle versus frontier orbital theory
PK Chattaraj
The Journal of Physical Chemistry A 105 (2), 511-513, 2001
2652001
Toxicity analysis of benzidine through chemical reactivity and selectivity profiles: a DFT approach
R Parthasarathi, J Padmanabhan, U Sarkar, B Maiti, V Subramanian, ...
Internet Electronic Journal of Molecular Design 2 (12), 798-813, 2003
2352003
Electrophilicity index within a conceptual DFT framework
PK Chattaraj, S Giri
Annual Reports Section" C"(Physical Chemistry) 105, 13-39, 2009
2342009
Net electrophilicity
PK Chattaraj, A Chakraborty, S Giri
The Journal of Physical Chemistry A 113 (37), 10068-10074, 2009
2292009
The maximum hardness principle in the Gyftopoulos-Hatsopoulos three-level model for an atomic or molecular species and its positive and negative ions
PK Chattaraj, GH Liu, RG Parr
Chemical Physics Letters 237 (1-2), 171-176, 1995
2261995
HSAB principle applied to the time evolution of chemical reactions
PK Chattaraj, B Maiti
Journal of the American Chemical Society 125 (9), 2705-2710, 2003
2252003
Nevae: A deep generative model for molecular graphs
B Samanta, A De, G Jana, V Gómez, P Chattaraj, N Ganguly, ...
Journal of machine learning research 21 (114), 1-33, 2020
2212020
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