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Physical Chemistry Chemical Physics : PCCP
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September 26, 2019
Beyond the Coulson-Fischer point: characterizing single excitation CI and TDDFT for excited states in single bond dissociations
Diptarka Hait, Adam Rettig, Martin Head-Gordon
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 21, 2019
Quantum Chemical Modeling of Pressure-Induced Spin Crossover in Octahedral Metal-Ligand Complexes
Tim Stauch, Romit Chakraborty, Martin Head-Gordon
The Journal of Chemical Physics
|
March 19, 2008
Hydrophobic solvation of Gay-Berne particles in modified water models
Teresa Head-Gordon, Ruth M Lynden-Bell
The Journal of Chemical Physics
|
February 17, 2018
Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals
Qinghui Ge, Yuezhi Mao, Martin Head-Gordon
The Journal of Physical Chemistry. B
|
November 3, 2016
Mechanism of Nucleation and Growth of Aβ40 Fibrils from All-Atom and Coarse-Grained Simulations
Sukanya Sasmal, Nadine Schwierz, Teresa Head-Gordon
Journal of Computational Chemistry
|
April 21, 2007
Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity
Yousung Jung, Yihan Shao, Martin Head-Gordon
Dalton Transactions (Cambridge, England : 2003)
|
August 14, 2008
Effects of ligands and spin-polarization on the preferred conformation of distannynes
Westin Kurlancheek, Yousung Jung, Martin Head-Gordon
The Journal of Chemical Physics
|
November 10, 2016
Comparing generalized ensemble methods for sampling of systems with many degrees of freedom
James Lincoff, Sukanya Sasmal, Teresa Head-Gordon
Journal of Chemical Theory and Computation
|
January 11, 2020
Variational Forward-Backward Charge Transfer Analysis Based on Absolutely Localized Molecular Orbitals: Energetics and Molecular Properties
Matthias Loipersberger, Yuezhi Mao, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
August 30, 2021
Effective Two-Body Interactions
Cameron Mackie, Alexander Zech, Martin Head-Gordon
Page
of 65
Search research articles
Search
Showing results (191-200 of 649) with videos related to
Sort By:
Page
of 65
Physical Chemistry Chemical Physics : PCCP
|
September 26, 2019
Beyond the Coulson-Fischer point: characterizing single excitation CI and TDDFT for excited states in single bond dissociations
Diptarka Hait, Adam Rettig, Martin Head-Gordon
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 21, 2019
Quantum Chemical Modeling of Pressure-Induced Spin Crossover in Octahedral Metal-Ligand Complexes
Tim Stauch, Romit Chakraborty, Martin Head-Gordon
The Journal of Chemical Physics
|
March 19, 2008
Hydrophobic solvation of Gay-Berne particles in modified water models
Teresa Head-Gordon, Ruth M Lynden-Bell
The Journal of Chemical Physics
|
February 17, 2018
Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals
Qinghui Ge, Yuezhi Mao, Martin Head-Gordon
The Journal of Physical Chemistry. B
|
November 3, 2016
Mechanism of Nucleation and Growth of Aβ40 Fibrils from All-Atom and Coarse-Grained Simulations
Sukanya Sasmal, Nadine Schwierz, Teresa Head-Gordon
Journal of Computational Chemistry
|
April 21, 2007
Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity
Yousung Jung, Yihan Shao, Martin Head-Gordon
Dalton Transactions (Cambridge, England : 2003)
|
August 14, 2008
Effects of ligands and spin-polarization on the preferred conformation of distannynes
Westin Kurlancheek, Yousung Jung, Martin Head-Gordon
The Journal of Chemical Physics
|
November 10, 2016
Comparing generalized ensemble methods for sampling of systems with many degrees of freedom
James Lincoff, Sukanya Sasmal, Teresa Head-Gordon
Journal of Chemical Theory and Computation
|
January 11, 2020
Variational Forward-Backward Charge Transfer Analysis Based on Absolutely Localized Molecular Orbitals: Energetics and Molecular Properties
Matthias Loipersberger, Yuezhi Mao, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
August 30, 2021
Effective Two-Body Interactions
Cameron Mackie, Alexander Zech, Martin Head-Gordon
Page
of 65