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The Journal of Physical Chemistry. A|March 15, 2008
Assessing the performance of density functional theory for the electronic structure of metal-salens: the 3d(0)-metalsJohn S Sears, C David SherrillThe Journal of Physical Chemistry. A|July 3, 2008
Assessing the performance of density functional theory for the electronic structure of metal-salens: the d2-metalsJohn S Sears, C David SherrillThe Journal of Chemical Physics|April 22, 2006
The electronic structure of oxo-Mn(salen): single-reference and multireference approachesJohn S Sears, C David SherrillThe Journal of Physical Chemistry. A|October 15, 2010
Assessing the performance of density functional theory for the electronic structure of metal-salens: the M06 suite of functionals and the d⁴-metalsTait Takatani, John S Sears, C David SherrillJournal of Chemical Theory and Computation|November 25, 2015
Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene-Tetracyanoquinodimethane (TTF-TCNQ) as a Model CaseGjergji Sini, John S Sears, Jean-Luc BrédasThe Journal of Physical Chemistry. A|July 23, 2009
Assessing the performance of density functional theory for the electronic structure of metal-salens: the d6-metalsTait Takatani, John S Sears, C David SherrillJournal of the American Chemical Society|September 10, 2010
Torsion potential in polydiacetylene: accurate computations on oligomers extrapolated to the polymer limitJohn S Sears, Ronald R Chance, Jean-Luc BrédasPhysical Chemistry Chemical Physics : PCCP|August 24, 2012
Lowest excited states and optical absorption spectra of donor-acceptor copolymers for organic photovoltaics: a new picture emerging from tuned long-range corrected density functionalsLaxman Pandey, Curtis Doiron, John S Sears, et al.The Journal of Physical Chemistry Letters|August 21, 2015
Understanding the Density Functional Dependence of DFT-Calculated Electronic Couplings in Organic SemiconductorsChristopher Sutton, John S Sears, Veaceslav Coropceanu, et al.The Journal of Chemical Physics|December 2, 2011
Long-range corrected hybrid functionals for π-conjugated systems: dependence of the range-separation parameter on conjugation lengthThomas Körzdörfer, John S Sears, Christopher Sutton, et al.Pageof 2