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The Journal of Chemical Physics
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December 16, 2014
Relations between environmental noise and electronic coupling for optimal exciton transfer in one- and two-dimensional homogeneous and inhomogeneous quantum systems
Charles C Forgy, David A Mazziotti
The Journal of Chemical Physics
|
September 3, 2017
Pair 2-electron reduced density matrix theory using localized orbitals
Kade Head-Marsden, David A Mazziotti
The Journal of Physical Chemistry. A
|
July 5, 2007
Assessing the efficacy of nonsteroidal anti-inflammatory drugs through the quantum computation of molecular ionization energies
Katherine B Shakman, David A Mazziotti
The Journal of Chemical Physics
|
August 3, 2014
Accurate prediction of diradical chemistry from a single-reference density-matrix method: Model application to the bicyclobutane to gauche-1,3-butadiene isomerization
Luke W Bertels, David A Mazziotti
The Journal of Physical Chemistry. A
|
July 12, 2013
Cage versus prism: electronic energies of the water hexamer
Jonathan J Foley, David A Mazziotti
The Journal of Chemical Physics
|
July 24, 2010
Isomerization of nitrosomethane to formaldoxime: energies, geometries, and frequencies from the parametric variational two-electron reduced-density-matrix method
A Eugene DePrince, David A Mazziotti
The Journal of Chemical Physics
|
January 26, 2010
Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix method
A Eugene DePrince, David A Mazziotti
The Journal of Chemical Physics
|
April 9, 2021
Accurate singlet-triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equation
Jan-Niklas Boyn, David A Mazziotti
Journal of the American Chemical Society
|
October 4, 2022
Reducing the Quantum Many-Electron Problem to Two Electrons with Machine Learning
LeeAnn M Sager-Smith, David A Mazziotti
The Journal of Physical Chemistry. A
|
June 9, 2021
Conductance Switching in an Organometallic Single-Electron Transistor Using Current-Constrained Reduced-Density Matrix Theory
Manas Sajjan, Shayan Hemmatiyan, David A Mazziotti
Page
of 14
Search research articles
Search
Showing results (71-80 of 134) with videos related to
Sort By:
Page
of 14
The Journal of Chemical Physics
|
December 16, 2014
Relations between environmental noise and electronic coupling for optimal exciton transfer in one- and two-dimensional homogeneous and inhomogeneous quantum systems
Charles C Forgy, David A Mazziotti
The Journal of Chemical Physics
|
September 3, 2017
Pair 2-electron reduced density matrix theory using localized orbitals
Kade Head-Marsden, David A Mazziotti
The Journal of Physical Chemistry. A
|
July 5, 2007
Assessing the efficacy of nonsteroidal anti-inflammatory drugs through the quantum computation of molecular ionization energies
Katherine B Shakman, David A Mazziotti
The Journal of Chemical Physics
|
August 3, 2014
Accurate prediction of diradical chemistry from a single-reference density-matrix method: Model application to the bicyclobutane to gauche-1,3-butadiene isomerization
Luke W Bertels, David A Mazziotti
The Journal of Physical Chemistry. A
|
July 12, 2013
Cage versus prism: electronic energies of the water hexamer
Jonathan J Foley, David A Mazziotti
The Journal of Chemical Physics
|
July 24, 2010
Isomerization of nitrosomethane to formaldoxime: energies, geometries, and frequencies from the parametric variational two-electron reduced-density-matrix method
A Eugene DePrince, David A Mazziotti
The Journal of Chemical Physics
|
January 26, 2010
Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix method
A Eugene DePrince, David A Mazziotti
The Journal of Chemical Physics
|
April 9, 2021
Accurate singlet-triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equation
Jan-Niklas Boyn, David A Mazziotti
Journal of the American Chemical Society
|
October 4, 2022
Reducing the Quantum Many-Electron Problem to Two Electrons with Machine Learning
LeeAnn M Sager-Smith, David A Mazziotti
The Journal of Physical Chemistry. A
|
June 9, 2021
Conductance Switching in an Organometallic Single-Electron Transistor Using Current-Constrained Reduced-Density Matrix Theory
Manas Sajjan, Shayan Hemmatiyan, David A Mazziotti
Page
of 14