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The Journal of Physical Chemistry. A|October 9, 2018
Calculating Optical Rotatory Dispersion Spectra in Solution Using a Smooth Dielectric ModelJ Coleman Howard, T Daniel CrawfordJournal of Chemical Theory and Computation|October 3, 2017
Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster TheoryJ Coleman Howard, James C Womack, Jacek Dziedzic, et al.The Journal of Physical Chemistry. A|June 21, 2018
Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster TheoryJ Coleman Howard, Shree Sowndarya S V, Imaad M Ansari, et al.The Journal of Chemical Physics|December 11, 2013
N-body:Many-body QM:QM vibrational frequencies: application to small hydrogen-bonded clustersJ Coleman Howard, Gregory S TschumperJournal of Chemical Theory and Computation|November 18, 2015
Benchmark Structures and Harmonic Vibrational Frequencies Near the CCSD(T) Complete Basis Set Limit for Small Water Clusters: (H2O)n = 2, 3, 4, 5, 6J Coleman Howard, Gregory S TschumperChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 16, 2011
Coupled-cluster calculations of vibrational Raman optical activity spectraT Daniel Crawford, Kenneth RuudThe Journal of Physical Chemistry. A|April 8, 2021
Modeling Complex Solvent Effects on the Optical Rotation of Chiral Molecules: A Combined Molecular Dynamics and Density Functional Theory StudyRuhee D'Cunha, T Daniel CrawfordPhysical Chemistry Chemical Physics : PCCP|October 28, 2010
Symmetry breaking in the cyclic C(3)C(2)H radicalBenjamin Mintz, T Daniel CrawfordJournal of Chemical Theory and Computation|December 22, 2020
PNO++: Perturbed Pair Natural Orbitals for Coupled Cluster Linear Response TheoryRuhee D'Cunha, T Daniel CrawfordThe Journal of Physical Chemistry. A|January 4, 2017
Frozen Virtual Natural Orbitals for Coupled-Cluster Linear-Response TheoryAshutosh Kumar, T Daniel CrawfordPageof 10