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Dr. Debesh R. Roy
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Year
Update 1 of: electrophilicity index
PK Chattaraj, DR Roy
Chemical reviews 107 (9), PR46-PR74, 2007
2195*2007
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
4112004
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
2182005
Multiphilic descriptor for chemical reactivity and selectivity
J Padmanabhan, R Parthasarathi, M Elango, V Subramanian, ...
The Journal of Physical Chemistry A 111 (37), 9130-9138, 2007
1792007
Analyzing toxicity through electrophilicity
DR Roy, U Sarkar, PK Chattaraj, A Mitra, J Padmanabhan, ...
Molecular diversity 10, 119-131, 2006
1432006
Electronic and optical properties of BaTiO3 across tetragonal to cubic phase transition: An experimental and theoretical investigation
V Mishra, A Sagdeo, V Kumar, MK Warshi, HM Rai, SK Saxena, DR Roy, ...
Journal of Applied Physics 122 (6), 2017
1252017
Stability and reactivity of all-metal aromatic and antiaromatic systems in light of the principles of maximum hardness and minimum polarizability
PK Chattaraj, DR Roy, M Elango, V Subramanian
The Journal of Physical Chemistry A 109 (42), 9590-9597, 2005
1192005
Local hardness: a critical account
PK Chattaraj, DR Roy, P Geerlings, M Torrent-Sucarrat
Theoretical Chemistry Accounts 118, 923-930, 2007
1132007
Careful scrutiny of the philicity concept
DR Roy, R Parthasarathi, J Padmanabhan, U Sarkar, V Subramanian, ...
The Journal of Physical Chemistry A 110 (3), 1084-1093, 2006
1022006
Electronic structure principles and aromaticity
PK Chattaraj, U Sarkar, DR Roy
Journal of chemical education 84 (2), 354, 2007
942007
On the Ground State of Pd13
AM Köster, P Calaminici, E Orgaz, DR Roy, JU Reveles, SN Khanna
Journal of the American Chemical Society 133 (31), 12192-12196, 2011
782011
Aromaticity in polyacene analogues of inorganic ring compounds
PK Chattaraj, DR Roy
The Journal of Physical Chemistry A 111 (21), 4684-4696, 2007
732007
Reactivity, Selectivity, and Aromaticity of Be32- and Its Complexes
DR Roy, PK Chattaraj
The Journal of Physical Chemistry A 112 (7), 1612-1621, 2008
722008
Chemical reactivity descriptor based aromaticity indices applied to Al42− and Al44− systems
PK Chattaraj, DR Roy, M Elango, V Subramanian
Journal of Molecular Structure: THEOCHEM 759 (1-3), 109-110, 2006
552006
A conceptual DFT approach towards analysing toxicity
U Sarkar, DR Roy, PK Chattaraj, R Parthasarathi, J Padmanabhan, ...
Journal of Chemical Sciences 117, 599-612, 2005
522005
Magnetic moment and local moment alignment in anionic and/or oxidized Fen clusters
DR Roy, R Robles, SN Khanna
The Journal of chemical physics 132 (19), 2010
482010
Two-Dimensional Boron–Phosphorus Monolayer for Reversible NO2 Gas Sensing
S Thomas, V Kumar, DR Roy, MA Zaeem
ACS Applied Nano Materials 3 (10), 10073-10081, 2020
472020
Single-layer stanane as potential gas sensor for NO2, SO2, CO2 and NH3 under DFT investigation
V Kumar, DR Roy
Physica E: Low-dimensional Systems and Nanostructures 110, 100-106, 2019
472019
Minimum magnetizability principle
A Tanwar, S Pal, D Ranjan Roy, P Kumar Chattaraj
The Journal of chemical physics 125 (5), 2006
462006
Ca2C MXene monolayer as a superior anode for metal-ion batteries
K Rajput, V Kumar, S Thomas, MA Zaeem, DR Roy
2D Materials 8 (3), 035015, 2021
452021
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Articles 1–20