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Harley R McAlexander

Showing results (1-10 of 8) with videos related to

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Journal of Chemical Theory and Computation|December 3, 2015
A Comparison of Three Approaches to the Reduced-Scaling Coupled Cluster Treatment of Non-Resonant Molecular Response PropertiesHarley R McAlexander, T Daniel Crawford
The Journal of Chemical Physics|April 24, 2015
Simulation of circularly polarized luminescence spectra using coupled cluster theoryHarley R McAlexander, T Daniel Crawford
Physical Chemistry Chemical Physics : PCCP|May 1, 2012
Localized optimized orbitals, coupled cluster theory, and chiroptical response propertiesHarley R McAlexander, Taylor J Mach, T Daniel Crawford
Physical Chemistry Chemical Physics : PCCP|December 23, 2014
Incremental evaluation of coupled cluster dipole polarizabilitiesJoachim Friedrich, Harley R McAlexander, Ashutosh Kumar, et al.
Environmental Science. Processes & Impacts|September 21, 2022
Density functional theory explorations of parathion and paraoxon hydrolysis as a function of the underlying alkaline environmentCaitlin G Bresnahan, Harley R McAlexander, Christa M Woodley, et al.
The Journal of Physical Chemistry. A|March 29, 2019
Computational Investigation on Electronic Structures and Properties of 4,6-Bis(nitroimino)-1,3,5-triazinan-2-one: An Insensitive Munition CompoundKatarina M Pittman, Harley R McAlexander, Gregory S Tschumper, et al.
Scientific Reports|January 7, 2026
Covalent ferrocene conjugation as an intramolecular strategy for photostability in fluoresceinGilbert K Kosgei, P U Ashvin Iresh Fernando, Harley R Mcalexander, et al.
Journal of Chemical Theory and Computation|May 11, 2017
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and InteroperabilityRobert M Parrish, Lori A Burns, Daniel G A Smith, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|December 3, 2015
A Comparison of Three Approaches to the Reduced-Scaling Coupled Cluster Treatment of Non-Resonant Molecular Response PropertiesHarley R McAlexander, T Daniel Crawford
The Journal of Chemical Physics|April 24, 2015
Simulation of circularly polarized luminescence spectra using coupled cluster theoryHarley R McAlexander, T Daniel Crawford
Physical Chemistry Chemical Physics : PCCP|May 1, 2012
Localized optimized orbitals, coupled cluster theory, and chiroptical response propertiesHarley R McAlexander, Taylor J Mach, T Daniel Crawford
Physical Chemistry Chemical Physics : PCCP|December 23, 2014
Incremental evaluation of coupled cluster dipole polarizabilitiesJoachim Friedrich, Harley R McAlexander, Ashutosh Kumar, et al.
Environmental Science. Processes & Impacts|September 21, 2022
Density functional theory explorations of parathion and paraoxon hydrolysis as a function of the underlying alkaline environmentCaitlin G Bresnahan, Harley R McAlexander, Christa M Woodley, et al.
The Journal of Physical Chemistry. A|March 29, 2019
Computational Investigation on Electronic Structures and Properties of 4,6-Bis(nitroimino)-1,3,5-triazinan-2-one: An Insensitive Munition CompoundKatarina M Pittman, Harley R McAlexander, Gregory S Tschumper, et al.
Scientific Reports|January 7, 2026
Covalent ferrocene conjugation as an intramolecular strategy for photostability in fluoresceinGilbert K Kosgei, P U Ashvin Iresh Fernando, Harley R Mcalexander, et al.
Journal of Chemical Theory and Computation|May 11, 2017
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and InteroperabilityRobert M Parrish, Lori A Burns, Daniel G A Smith, et al.
Pageof 1