Theo dõi
Dr. Debesh R. Roy
Dr. Debesh R. Roy
Department of Physics, S. V. National Institute of Technology, Surat
Email được xác minh tại phy.svnit.ac.in - Trang chủ
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
2364*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
4632004
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
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
1982007
Analyzing toxicity through electrophilicity
DR Roy, U Sarkar, PK Chattaraj, A Mitra, J Padmanabhan, ...
Molecular diversity 10, 119-131, 2006
1512006
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
1422017
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
1222005
Local hardness: a critical account
PK Chattaraj, DR Roy, P Geerlings, M Torrent-Sucarrat
Theoretical Chemistry Accounts 118, 923-930, 2007
1142007
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
1052006
Electronic structure principles and aromaticity
PK Chattaraj, U Sarkar, DR Roy
Journal of chemical education 84 (2), 354, 2007
1032007
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
852011
Aromaticity in polyacene analogues of inorganic ring compounds
PK Chattaraj, DR Roy
The Journal of Physical Chemistry A 111 (21), 4684-4696, 2007
762007
Reactivity, Selectivity, and Aromaticity of Be32- and Its Complexes
DR Roy, PK Chattaraj
The Journal of Physical Chemistry A 112 (7), 1612-1621, 2008
742008
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
582005
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
572021
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
562006
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
552020
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
542019
2D Sb2C3 monolayer: a promising material for the recyclable gas sensor for environmentally toxic nitrogen-containing gases (NCGs)
V Kumar, D Azhikodan, DR Roy
Journal of Hazardous Materials 405, 124168, 2021
512021
Minimum magnetizability principle
A Tanwar, S Pal, D Ranjan Roy, P Kumar Chattaraj
The Journal of chemical physics 125 (5), 2006
502006
Hệ thống không thể thực hiện thao tác ngay bây giờ. Hãy thử lại sau.
Bài viết 1–20