Theo dõi
Pratim Kumar Chattaraj
Pratim Kumar Chattaraj
Distinguished Visiting Professor, Department of Chemistry, Birla Institute of Technology Mesra
Email được xác minh tại bitmesra.ac.in
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
Update 1 of: electrophilicity index
PK Chattaraj, DR Roy
Chemical reviews 107 (9), PR46-PR74, 2007
21672007
Principle of maximum hardness
RG Parr, PK Chattaraj
Journal of the American Chemical Society 113 (5), 1854-1855, 1991
16021991
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
9182003
HSAB principle
PK Chattaraj, H Lee, RG Parr
Journal of the American Chemical Society 113 (5), 1855-1856, 1991
6861991
Electrophilicity-based charge transfer descriptor
J Padmanabhan, R Parthasarathi, V Subramanian, PK Chattaraj
The Journal of Physical Chemistry A 111 (7), 1358-1361, 2007
5582007
Chemical reactivity theory: a density functional view
PK Chattaraj
CRC press, 2009
5102009
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
4632004
Popular electronic structure principles in a dynamical context
PK Chattaraj, S Sengupta
The Journal of Physical Chemistry 100 (40), 16126-16130, 1996
4201996
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
3782020
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
3552003
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
3082007
<? ACS-CT-START-Insert?> Update 2 of:<? ACS-CT-END-Insert?> Electrophilicity Index
PK Chattaraj, ...
Chemical reviews 111 (2), PR43-PR75, 2011
2992011
Intermolecular reactivity through the generalized philicity concept
R Parthasarathi, J Padmanabhan, M Elango, V Subramanian, ...
Chemical physics letters 394 (4-6), 225-230, 2004
2972004
Chemical reactivity and selectivity: local HSAB principle versus frontier orbital theory
PK Chattaraj
The Journal of Physical Chemistry A 105 (2), 511-513, 2001
2702001
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
2562020
Electrophilicity index within a conceptual DFT framework
PK Chattaraj, S Giri
Annual Reports Section" C"(Physical Chemistry) 105, 13-39, 2009
2512009
Electrophilicity as a possible descriptor for toxicity prediction
DR Roy, R Parthasarathi, B Maiti, V Subramanian, PK Chattaraj
Bioorganic & medicinal chemistry 13 (10), 3405-3412, 2005
2462005
Net electrophilicity
PK Chattaraj, A Chakraborty, S Giri
The Journal of Physical Chemistry A 113 (37), 10068-10074, 2009
2412009
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
2302003
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
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