Showing results (11-20 of 23) with videos related to
Sort By:
Pageof 3
Journal of Molecular Modeling|October 27, 2016
Possible sequestration of polar gas molecules by superhalogen supported aluminum nitride nanoflakesDebdutta Chakraborty, Pratim Kumar ChattarajChemical Science|June 4, 2021
Conceptual density functional theory based electronic structure principlesDebdutta Chakraborty, Pratim Kumar ChattarajJournal of Computational Chemistry|November 3, 2017
Confinement induced thermodynamic and kinetic facilitation of some Diels-Alder reactions inside a CB[7] cavitandDebdutta Chakraborty, Pratim Kumar ChattarajPhysical Chemistry Chemical Physics : PCCP|June 3, 2015
Orbital free DFT versus single density equation: a perspective through quantum domain behavior of a classically chaotic systemDebdutta Chakraborty, Susmita Kar, Pratim Kumar ChattarajPhysical Chemistry Chemical Physics : PCCP|August 22, 2017
Change in optoelectronic properties of ExBox<sup>+4</sup> on functionalization and guest encapsulationDebdutta Chakraborty, Ranjita Das, Pratim Kumar ChattarajJournal of Chemical Theory and Computation|June 18, 2026
Multi-Objective Optimization of Conceptual DFT Reactivity Descriptors in Open-Shell Radicals by Reinforcement LearningDebojyoti Das, Preeti Christina Beck, Debdutta ChakrabortyJournal of Molecular Modeling|August 12, 2018
Confinement induced catalytic activity in a Diels-Alder reaction: comparison among various CB[n], n = 6-8, cavitandsManas Ghara, Debdutta Chakraborty, Pratim K ChattarajThe Journal of Physical Chemistry. A|October 16, 2020
Dynamics of Pyrene-Dimer Association and Ensuing Pyrene-Dimer DissociationDebdutta Chakraborty, Hans Lischka, William L HaseChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 31, 2017
Does Confinement Always Lead to Thermodynamically and/or Kinetically Favorable Reactions? A Case Study using Diels-Alder Reactions within ExBox<sup>+4</sup> and CB[7]Debdutta Chakraborty, Ranjita Das, Pratim Kumar ChattarajMolecules (Basel, Switzerland)|August 26, 2023
Impact of Static-Oriented Electric Fields on the Kinetics of Some Representative Suzuki-Miyaura and Metal-Cluster Mediated ReactionsNavya Arepalli, Sukanta Mondal, Debdutta Chakraborty, et al.Pageof 3