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The Journal of Chemical Physics|April 23, 2022
Beginnings of exciton condensation in coronene analog of graphene double layerLeeAnn M Sager, Anna O Schouten, David A MazziottiPhysical Chemistry Chemical Physics : PCCP|April 23, 2015
Energies and structures in biradical chemistry from the parametric two-electron reduced-density matrix method: applications to the benzene and cyclobutadiene biradicalsAlison L McManus, Erik P Hoy, David A MazziottiThe Journal of Chemical Physics|January 26, 2011
Strongly correlated mechanisms of a photoexcited radical reaction from the anti-Hermitian contracted Schrödinger equationJonathan J Foley, Adam E Rothman, David A MazziottiThe Journal of Chemical Physics|May 20, 2009
Activation energies of sigmatropic shifts in propene and acetone enolate from the anti-Hermitian contracted Schrödinger equationJonathan J Foley, Adam E Rothman, David A MazziottiThe Journal of Physical Chemistry. A|May 14, 2011
Strong correlation in acene sheets from the active-space variational two-electron reduced density matrix method: effects of symmetry and sizeKenley Pelzer, Loren Greenman, Gergely Gidofalvi, et al.The Journal of Physical Chemistry Letters|January 30, 2016
Entangled Electrons Foil Synthesis of Elusive Low-Valent Vanadium Oxo ComplexAnthony W Schlimgen, Charles W Heaps, David A MazziottiThe Journal of Physical Chemistry Letters|October 6, 2021
Exciton Condensation in Molecular-Scale van der Waals StacksAnna O Schouten, LeeAnn M Sager, David A MazziottiThe 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 MazziottiThe 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 MazziottiThe Journal of Physical Chemistry. A|July 13, 2023
Qubit Condensation for Assessing Efficacy of Molecular Simulation on Quantum ComputersLeeAnn M Sager-Smith, Scott E Smart, David A MazziottiPageof 14