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The Journal of Physical Chemistry. A|August 17, 2018
Computational Approach to Unravel the Role of Hydrogen Bonding in the Interaction of NAMI-A with DNA Nucleobases and NucleotidesDharitri Das, Muntazir S Khan, Gayatree Barik, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 12, 2022
The Decisive Role of Spin States and Spin Coupling in Dictating Selective O2 Adsorption in Chromium(II) Metal-Organic FrameworksReshma Jose, Srinivasu Kancharlapalli, Tapan K Ghanty, et al.
The Journal of Chemical Physics|September 3, 2015
Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster frameworkSudip Sasmal, Himadri Pathak, Malaya K Nayak, et al.
The Journal of Physical Chemistry. A|January 22, 2010
Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed Kohn-Sham method: case study of the polarizabilities of disubstituted azoarene moleculesSapana V Shedge, Javier Carmona-Espíndola, Sourav Pal, et al.
The Journal of Chemical Physics|August 22, 2016
Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potentialHimadri Pathak, Sudip Sasmal, Malaya K Nayak, et al.
The Journal of Chemical Physics|April 3, 2016
Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster studySudip Sasmal, Himadri Pathak, Malaya K Nayak, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 31, 2022
The Decisive Role of Spin States and Spin Coupling in Dictating Selective O2 Adsorption in Chromium(II) Metal-Organic FrameworksReshma Jose, Srinivasu Kancharlapalli, Tapan K Ghanty, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Partitioned EOMEA-MBPT(2): An Efficient N(5) Scaling Method for Calculation of Electron AffinitiesAchintya Kumar Dutta, Jitendra Gupta, Himadri Pathak, et al.
The Journal of Physical Chemistry. A|August 21, 2007
Deprotonation of 1,2-dialkylpyridinium ions: a DFT study of reactivity and site selectivityNeelima Gupta, Reena Garg, Kirti Kr Shah, et al.
RSC Advances|May 13, 2022
Retraction: A highly concise and practical route to clavaminols, sphinganine and (+)-spisulosine via indium mediated allylation of α-hydrazino aldehyde and a theoretical insight into the stereochemical aspects of the reactionMenaka Pandey, Partha Sarathi Chowdhury, Achintya Kumar Dutta, et al.
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