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Physical Chemistry Chemical Physics : PCCP|March 10, 2012
Structures, energetics and vibrational spectra of CO2 clusters through molecular tailoring and cluster building algorithmSachin D Yeole, Nityananda Sahu, Shridhar R Gadre
The Journal of Physical Chemistry. A|June 29, 2016
Toward an Accurate and Inexpensive Estimation of CCSD(T)/CBS Binding Energies of Large Water ClustersNityananda Sahu, Gurmeet Singh, Apurba Nandi, et al.
The Journal of Chemical Physics|May 19, 2023
Quasi-relativistic approach to analytical gradients of parity violating potentialsSascha A Brück, Nityananda Sahu, Konstantin Gaul, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 11, 2026
Extending the Molecular Tailoring Approach for Reliable and Efficient Nuclear Magnetic Resonance Spectral CalculationsSimran Sharma, Subodh S Khire, Shridhar R Gadre, et al.
The Journal of Chemical Physics|June 23, 2025
Assisting calculation of vibrational circular dichroism spectra by molecular tailoring approachSimran Sharma, Subodh S Khire, Shridhar R Gadre, et al.
The Journal of Chemical Physics|November 3, 2014
Low energy isomers of (H2O)25 from a hierarchical method based on Monte Carlo temperature basin paving and molecular tailoring approaches benchmarked by MP2 calculationsNityananda Sahu, Shridhar R Gadre, Avijit Rakshit, et al.
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