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The Journal of Physical Chemistry. A|July 28, 2011
Basis set dependence of coupled cluster optical rotation computationsTaylor J Mach, T Daniel CrawfordThe Journal of Physical Chemistry. A|June 23, 2010
A coupled cluster benchmark study of the electronic spectrum of the allyl radicalTaylor J Mach, Rollin A King, T Daniel CrawfordPhysical Chemistry Chemical Physics : PCCP|May 1, 2012
Localized optimized orbitals, coupled cluster theory, and chiroptical response propertiesHarley R McAlexander, Taylor J Mach, T Daniel CrawfordThe 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.Journal of Microbiology & Biology Education|May 2, 2022
Characterizing Staphylococcus aureus from Healthy Individuals: an Authentic Research Experience for UndergraduatesAmanda J Brosnahan, Taylor J MachChemphyschem : 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 9