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Frontiers in Chemistry|December 6, 2021
Unraveling the Effect of Aromatic Groups in Mn(I)NNN Pincer Complexes on Carbon Dioxide Activation Using Density Functional StudySaurabh Vinod Parmar, Vidya Avasare, Sourav Pal
The Journal of Chemical Physics|October 5, 2013
Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methodsAchintya Kumar Dutta, Sourav Pal, Debashree Ghosh
Journal of Chemical Theory and Computation|November 18, 2015
EOMIP-CCSD(2)*: an efficient method for the calculation of ionization potentialsAchintya Kumar Dutta, Nayana Vaval, Sourav Pal
Physical Chemistry Chemical Physics : PCCP|July 1, 2026
Activation of methane by the tantalum trioxide anion, TaO3Tatsuya Chiba, Turbasu Sengupta, Shiying Wang, et al.
Inorganic Chemistry|June 30, 2022
Unraveling the Mechanistic Details of Ru-Bis(pyridyl)borate Complex Catalyst for the Dehydrogenation of Ammonia BoraneAmrita Gogoi, Priti Singh, Sourav Pal, et al.
The Journal of Physical Chemistry. A|January 12, 2007
The influence of electric field on the global and local reactivity descriptors: reactivity and stability of weakly bonded complexesRahul Kar, K R S Chandrakumar, Sourav Pal
Bioinformation|January 7, 2014
Atomistic details of effect of disulfide bond reduction on active site of Phytase B from Aspergillus niger: A MD StudyKapil Kumar, Mudit Dixit, Jm Khire, et al.
Journal of Molecular Recognition : JMR|February 24, 2015
Computational strategies for understanding the nature of interaction in dioxin imprinted nanoporous trappersMuntazir S Khan, Sourav Pal, Reddithota J Krupadam
Journal of Computational Chemistry|October 3, 2025
Cyclo[16]Carbon for Sensing and Safe Handling of TNT and TATB: A DFT InvestigationSouvik Santra, Sobitri Sen, Arijit Bag, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Optimization of nonlinear optical properties by substituent position, geometry and symmetry of the molecule: An ab initio studyDaly Davis, K Sreekumar, Y Sajeev, et al.
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