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The Journal of Physical Chemistry Letters|August 22, 2015
Facilitating Minima Search for Large Water Clusters at the MP2 Level via Molecular TailoringJonathan P Furtado, Anuja P Rahalkar, Sudhanshu Shanker, 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.Physical Chemistry Chemical Physics : PCCP|May 21, 2015
Hybrid QTAIM and electrostatic potential-based quantum topology phase diagrams for water clustersAnmol Kumar, Shridhar R Gadre, Xiao Chenxia, et al.Physical Chemistry Chemical Physics : PCCP|November 4, 2008
Use of molecular electrostatic potential for quantitative assessment of inductive effectCherumuttathu H Suresh, P Alexander, K Periya Vijayalakshmi, et al.Journal of Computational Chemistry|June 24, 2026
Hydrogen Bond Energy Estimation in Large Molecular Clusters via the Method of Synergistic Cyclic Cooperativity: A Software Update H-BEE 2.0Ayush Shivhare, Mini Bharati Ahirwar, Subodh S Khire, et al.The Journal of Physical Chemistry Letters|October 15, 2019
Hovering States of Ammonia in a High-Intensity, High-Frequency Oscillating Field: Trapped into Planarity by Laser-Induced HybridizationNaveen Kumar, Prashant Raj, P BalanarayanJournal of Chemical Theory and Computation|November 26, 2019
Quantum Dynamics with Explicitly Time-Dependent Hamiltonians in Multiple Time Scales: A New Algorithm for (<i>t</i>, <i>t</i>') and (<i>t</i>, <i>t</i>', <i>t</i>″) Methods in Laser-Matter InteractionsPrashant Raj, Alkit Gugalia, P BalanarayanJournal of Computational Chemistry|October 28, 2015
DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in moleculesAnmol Kumar, Sachin D Yeole, Shridhar R Gadre, et al.Organic & Biomolecular Chemistry|November 28, 2017
A computational investigation of the solvent-dependent enantioselective intramolecular Morita-Baylis-Hillman reaction of enonesNitin Kumar Singh, Bishnupada Satpathi, P Balanarayan, et al.Journal of the American Chemical Society|April 20, 2023
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake HandsApurba Nandi, Gabriel Laude, Subodh S Khire, et al.Pageof 10