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International Journal of Molecular Sciences|September 2, 2020
Fock-Space Coupled Cluster Theory: Systematic Study of Partial Fourth Order Triples Schemes for Ionization Potential and Comparison with Bondonic FormalismSuhita Basumallick, Sourav Pal, Mihai V Putz
The Journal of Chemical Physics|July 23, 2004
A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theoryK R Shamasundar, Subashini Asokan, Sourav Pal
ACS Omega|August 29, 2019
Mechanistic Investigation of the Carbon-Iodine Bond Activation on the Niobium-Carbon ClusterTurbasu Sengupta, Muntazir S Khan, Sourav Pal
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 3, 2008
Density functional investigations of electronic structure and dehydrogenation reactions of Al- and Si-substituted magnesium hydrideTuhina Kelkar, Sourav Pal, Dilip G Kanhere
The Journal of Chemical Physics|September 25, 2012
Vibrational multi-reference coupled cluster theory in bosonic representationSubrata Banik, Sourav Pal, M Durga Prasad
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
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.
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