Showing results (1-10 of 513) with videos related to
Sort By:
Pageof 52
Physical Chemistry Chemical Physics : PCCP|August 15, 2017
A ground state potential energy surface for HONO based on a neural network with exponential fitting functionsEkadashi Pradhan, Alex BrownThe Journal of Chemical Physics|May 9, 2016
Vibrational energies for HFCO using a neural network sum of exponentials potential energy surfaceEkadashi Pradhan, Alex BrownThe Journal of Physical Chemistry. A|December 4, 2012
Ab initio potential energy and dipole moment surfaces for CS2: determination of molecular vibrational energiesEkadashi Pradhan, José-Luis Carreón-Macedo, Javier E Cuervo, et al.The Journal of Physical Chemistry Letters|November 23, 2022
Design of the Smallest Intramolecular Singlet Fission Chromophore with the Fastest Singlet FissionEkadashi Pradhan, Tao ZengJournal of Chemical Theory and Computation|October 17, 2023
The Unified Hamiltonian Formalism of Spin-Orbit Jahn-Teller and Pseudo-Jahn-Teller Problems in All Axial SymmetriesEkadashi Pradhan, Tao ZengJournal of Chemical Theory and Computation|March 26, 2023
Triplet Separation after the Fastest Intramolecular Singlet Fission in the Smallest ChromophoreEkadashi Pradhan, Tao ZengThe Journal of Physical Chemistry Letters|December 21, 2023
The Lack of Triplet Fusion for an Intramolecular Singlet Fission Chromophore: The Expected, the Unexpected, and a ReconciliationEkadashi Pradhan, Tao ZengThe Journal of Chemical Physics|December 16, 2021
Unified one-electron Hamiltonian formalism of spin-orbit Jahn-Teller and pseudo-Jahn-Teller problems in axial symmetriesJames Brown, Ekadashi Pradhan, Tao ZengThe Journal of Chemical Physics|January 23, 2022
Design of singlet fission chromophores by the introduction of N-oxyl fragmentsDylan James, Ekadashi Pradhan, Tao ZengJournal of Physics. Condensed Matter : an Institute of Physics Journal|November 9, 2018
Non-adiabatic molecular dynamics with ΔSCF excited statesEkadashi Pradhan, Kosuke Sato, Alexey V AkimovPageof 52