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Christine A Schwerdtfeger

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The Journal of Physical Chemistry. A|October 8, 2011
Populations of carbonic acid isomers at 210 K from a fast two-electron reduced-density matrix theoryChristine A Schwerdtfeger, David A Mazziotti
The Journal of Chemical Physics|July 27, 2012
Treating molecules in arbitrary spin states using the parametric two-electron reduced-density-matrix methodChristine A Schwerdtfeger, David A Mazziotti
The Journal of Chemical Physics|January 3, 2013
Low-rank spectral expansions of two electron excitations for the acceleration of quantum chemistry calculationsChristine A Schwerdtfeger, David A Mazziotti
The Journal of Physical Chemistry. A|July 26, 2006
Comment on "Accurate experimental values for the free energies of hydration of H+, OH-, and H3O+"Donald M Camaioni, Christine A Schwerdtfeger
The Journal of Chemical Physics|June 18, 2009
Convex-set description of quantum phase transitions in the transverse Ising model using reduced-density-matrix theoryChristine A Schwerdtfeger, David A Mazziotti
The Journal of Chemical Physics|May 10, 2011
Testing the parametric two-electron reduced-density-matrix method with improved functionals: application to the conversion of hydrogen peroxide to oxywaterChristine A Schwerdtfeger, A Eugene DePrince, David A Mazziotti
The Journal of Chemical Physics|February 12, 2015
Nonadiabatic dynamics of electron transfer in solution: explicit and implicit solvent treatments that include multiple relaxation time scalesChristine A Schwerdtfeger, Alexander V Soudackov, Sharon Hammes-Schiffer
The Journal of Chemical Physics|January 28, 2012
Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazeneAndrew M Sand, Christine A Schwerdtfeger, David A Mazziotti
The Journal of Physical Chemistry. A|February 20, 2013
Relative energies and geometries of the cis- and trans-HO3 radicals from the parametric 2-electron density matrix methodErik P Hoy, Christine A Schwerdtfeger, David A Mazziotti
The Journal of Physical Chemistry. B|December 30, 2014
Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complexPuja Goyal, Christine A Schwerdtfeger, Alexander V Soudackov, et al.
Pageof 2

Showing results (1-10 of 12) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry. A|October 8, 2011
Populations of carbonic acid isomers at 210 K from a fast two-electron reduced-density matrix theoryChristine A Schwerdtfeger, David A Mazziotti
The Journal of Chemical Physics|July 27, 2012
Treating molecules in arbitrary spin states using the parametric two-electron reduced-density-matrix methodChristine A Schwerdtfeger, David A Mazziotti
The Journal of Chemical Physics|January 3, 2013
Low-rank spectral expansions of two electron excitations for the acceleration of quantum chemistry calculationsChristine A Schwerdtfeger, David A Mazziotti
The Journal of Physical Chemistry. A|July 26, 2006
Comment on "Accurate experimental values for the free energies of hydration of H+, OH-, and H3O+"Donald M Camaioni, Christine A Schwerdtfeger
The Journal of Chemical Physics|June 18, 2009
Convex-set description of quantum phase transitions in the transverse Ising model using reduced-density-matrix theoryChristine A Schwerdtfeger, David A Mazziotti
The Journal of Chemical Physics|May 10, 2011
Testing the parametric two-electron reduced-density-matrix method with improved functionals: application to the conversion of hydrogen peroxide to oxywaterChristine A Schwerdtfeger, A Eugene DePrince, David A Mazziotti
The Journal of Chemical Physics|February 12, 2015
Nonadiabatic dynamics of electron transfer in solution: explicit and implicit solvent treatments that include multiple relaxation time scalesChristine A Schwerdtfeger, Alexander V Soudackov, Sharon Hammes-Schiffer
The Journal of Chemical Physics|January 28, 2012
Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazeneAndrew M Sand, Christine A Schwerdtfeger, David A Mazziotti
The Journal of Physical Chemistry. A|February 20, 2013
Relative energies and geometries of the cis- and trans-HO3 radicals from the parametric 2-electron density matrix methodErik P Hoy, Christine A Schwerdtfeger, David A Mazziotti
The Journal of Physical Chemistry. B|December 30, 2014
Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complexPuja Goyal, Christine A Schwerdtfeger, Alexander V Soudackov, et al.
Pageof 2