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Andrew C Simmonett

Showing results (21-30 of 64) with videos related to

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Journal of Computational Chemistry|July 6, 2010
From acetylene complexes to vinylidene structures: The GeC(2) H(2) systemQiang Hao, Andrew C Simmonett, Yukio Yamaguchi, et al.
The Journal of Physical Chemistry. A|November 7, 2009
Water dimer radical cation: structures, vibrational frequencies, and energeticsQianyi Cheng, Francesco A Evangelista, Andrew C Simmonett, et al.
The Journal of Chemical Physics|February 24, 2011
The Beryllium tetramer: profiling an elusive moleculePeter N Ascik, Jeremiah J Wilke, Andrew C Simmonett, et al.
The Journal of Chemical Physics|November 4, 2017
Mapping the Drude polarizable force field onto a multipole and induced dipole modelJing Huang, Andrew C Simmonett, Frank C Pickard, et al.
Physical Chemistry Chemical Physics : PCCP|June 4, 2009
A companion perturbation theory for state-specific multireference coupled cluster methodsFrancesco A Evangelista, Andrew C Simmonett, Henry F Schaefer, et al.
The Journal of Chemical Physics|August 24, 2015
Efficient treatment of induced dipolesAndrew C Simmonett, Frank C Pickard, Yihan Shao, et al.
The Journal of Chemical Physics|April 2, 2008
Triple excitations in state-specific multireference coupled cluster theory: application of Mk-MRCCSDT and Mk-MRCCSDT-n methods to model systemsFrancesco A Evangelista, Andrew C Simmonett, Wesley D Allen, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 7, 2012
The beryllium pentamer: trailing an uneven sequence of dissociation energiesPeter N Ascik, René Rugango, Andrew C Simmonett, et al.
Inorganic Chemistry|September 6, 2011
Toward functional Ni-SOD biomimetics: achieving a structural/electronic correlation with redox dynamicsEric M Gale, Andrew C Simmonett, Joshua Telser, et al.
The Journal of Physical Chemistry. A|March 14, 2008
Pi and sigma-phenylethynyl radicals and their isomers o-, m-, and p-ethynylphenyl: structures, energetics, and electron affinitiesRaj K Sreeruttun, Ponnadurai Ramasami, Chaitanya S Wannere, et al.
Pageof 7

Showing results (21-30 of 64) with videos related to

Sort By:
Pageof 7
Journal of Computational Chemistry|July 6, 2010
From acetylene complexes to vinylidene structures: The GeC(2) H(2) systemQiang Hao, Andrew C Simmonett, Yukio Yamaguchi, et al.
The Journal of Physical Chemistry. A|November 7, 2009
Water dimer radical cation: structures, vibrational frequencies, and energeticsQianyi Cheng, Francesco A Evangelista, Andrew C Simmonett, et al.
The Journal of Chemical Physics|February 24, 2011
The Beryllium tetramer: profiling an elusive moleculePeter N Ascik, Jeremiah J Wilke, Andrew C Simmonett, et al.
The Journal of Chemical Physics|November 4, 2017
Mapping the Drude polarizable force field onto a multipole and induced dipole modelJing Huang, Andrew C Simmonett, Frank C Pickard, et al.
Physical Chemistry Chemical Physics : PCCP|June 4, 2009
A companion perturbation theory for state-specific multireference coupled cluster methodsFrancesco A Evangelista, Andrew C Simmonett, Henry F Schaefer, et al.
The Journal of Chemical Physics|August 24, 2015
Efficient treatment of induced dipolesAndrew C Simmonett, Frank C Pickard, Yihan Shao, et al.
The Journal of Chemical Physics|April 2, 2008
Triple excitations in state-specific multireference coupled cluster theory: application of Mk-MRCCSDT and Mk-MRCCSDT-n methods to model systemsFrancesco A Evangelista, Andrew C Simmonett, Wesley D Allen, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 7, 2012
The beryllium pentamer: trailing an uneven sequence of dissociation energiesPeter N Ascik, René Rugango, Andrew C Simmonett, et al.
Inorganic Chemistry|September 6, 2011
Toward functional Ni-SOD biomimetics: achieving a structural/electronic correlation with redox dynamicsEric M Gale, Andrew C Simmonett, Joshua Telser, et al.
The Journal of Physical Chemistry. A|March 14, 2008
Pi and sigma-phenylethynyl radicals and their isomers o-, m-, and p-ethynylphenyl: structures, energetics, and electron affinitiesRaj K Sreeruttun, Ponnadurai Ramasami, Chaitanya S Wannere, et al.
Pageof 7