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Journal of Computational Chemistry|January 7, 2012
Two-step evaluation of binding energy and potential energy surface of van der Waals complexesMilind M Deshmukh, Shigeyoshi SakakiThe Journal of Physical Chemistry. A|January 27, 2023
Two-Step ONIOM Method for the Accurate Estimation of Individual Hydrogen Bond Energy in Large Molecular ClustersMini Bharati Ahirwar, Milind M DeshmukhThe Journal of Physical Chemistry. A|June 6, 2009
Estimation of N-H...O=C intramolecular hydrogen bond energy in polypeptidesMilind M Deshmukh, Shridhar R GadreMolecules (Basel, Switzerland)|June 2, 2021
Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond EnergyMilind M Deshmukh, Shridhar R GadreJournal of Computational Chemistry|May 16, 2023
Fragments-in-fragments method for efficient and reliable estimates of individual hydrogen bond energies in large molecular clustersMini Bharati Ahirwar, Milind M DeshmukhPhysical Chemistry Chemical Physics : PCCP|January 6, 2023
Characterization of non-covalent contacts in mono- and di-halo substituted acetaldehydes: probing the substitution effects of electron donating and withdrawing groupsDeepak Patkar, Milind M Deshmukh, Deepak ChopraJournal of Computational Chemistry|June 12, 2019
Theoretical prediction of Ni(I)-catalyst for hydrosilylation of pyridine and quinolineVijay Singh, Shigeyoshi Sakaki, Milind M DeshmukhChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 21, 2022
A Tug of War between the Self- and Cross-associating Hydrogen Bonds in Neutral Ammonia-Water Clusters: Energetic Insights by Molecular Tailoring ApproachDeepak Patkar, Mini Bharati Ahirwar, Milind M DeshmukhChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 18, 2022
Energetic Ordering of Hydrogen Bond Strengths in Methanol-Water Clusters: Insights via Molecular Tailoring ApproachDeepak Patkar, Mini Bharati Ahirwar, Milind M DeshmukhThe Journal of Physical Chemistry. A|December 19, 2007
Intramolecular hydrogen bonding and cooperative interactions in carbohydrates via the molecular tailoring approachMilind M Deshmukh, Libero J Bartolotti, Shridhar R GadrePageof 4