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Journal of Chemical Theory and Computation
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November 22, 2015
Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction Energies
Narbe Mardirossian, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
August 14, 2015
Electrostatic Domination of the Effect of Electron Correlation in Intermolecular Interactions
Jonathan Thirman, Martin Head-Gordon
The Journal of Chemical Physics
|
July 2, 2018
Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functional
Narbe Mardirossian, Martin Head-Gordon
The Journal of Chemical Physics
|
July 1, 2019
Two single-reference approaches to singlet biradicaloid problems: Complex, restricted orbitals and approximate spin-projection combined with regularized orbital-optimized Møller-Plesset perturbation theory
Joonho Lee, Martin Head-Gordon
Chemical Reviews
|
August 15, 2002
Water structure from scattering experiments and simulation
Teresa Head-Gordon, Greg Hura
The Journal of Physical Chemistry Letters
|
January 10, 2020
Highly Accurate Prediction of Core Spectra of Molecules at Density Functional Theory Cost: Attaining Sub-electronvolt Error from a Restricted Open-Shell Kohn-Sham Approach
Diptarka Hait, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
July 13, 2016
Convergence of the Many-Body Expansion for Energy and Forces for Classical Polarizable Models in the Condensed Phase
Omar Demerdash, Teresa Head-Gordon
Journal of Chemical Theory and Computation
|
October 3, 2017
A New Method for Treating Drude Polarization in Classical Molecular Simulation
Alex Albaugh, Teresa Head-Gordon
The Journal of Chemical Physics
|
January 7, 2014
Regularized orbital-optimized second-order perturbation theory
David Stück, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
August 22, 2018
Regularized Orbital-Optimized Second-Order Møller-Plesset Perturbation Theory: A Reliable Fifth-Order-Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers
Joonho Lee, Martin Head-Gordon
Page
of 65
Search research articles
Search
Showing results (41-50 of 649) with videos related to
Sort By:
Page
of 65
Journal of Chemical Theory and Computation
|
November 22, 2015
Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction Energies
Narbe Mardirossian, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
August 14, 2015
Electrostatic Domination of the Effect of Electron Correlation in Intermolecular Interactions
Jonathan Thirman, Martin Head-Gordon
The Journal of Chemical Physics
|
July 2, 2018
Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functional
Narbe Mardirossian, Martin Head-Gordon
The Journal of Chemical Physics
|
July 1, 2019
Two single-reference approaches to singlet biradicaloid problems: Complex, restricted orbitals and approximate spin-projection combined with regularized orbital-optimized Møller-Plesset perturbation theory
Joonho Lee, Martin Head-Gordon
Chemical Reviews
|
August 15, 2002
Water structure from scattering experiments and simulation
Teresa Head-Gordon, Greg Hura
The Journal of Physical Chemistry Letters
|
January 10, 2020
Highly Accurate Prediction of Core Spectra of Molecules at Density Functional Theory Cost: Attaining Sub-electronvolt Error from a Restricted Open-Shell Kohn-Sham Approach
Diptarka Hait, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
July 13, 2016
Convergence of the Many-Body Expansion for Energy and Forces for Classical Polarizable Models in the Condensed Phase
Omar Demerdash, Teresa Head-Gordon
Journal of Chemical Theory and Computation
|
October 3, 2017
A New Method for Treating Drude Polarization in Classical Molecular Simulation
Alex Albaugh, Teresa Head-Gordon
The Journal of Chemical Physics
|
January 7, 2014
Regularized orbital-optimized second-order perturbation theory
David Stück, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
August 22, 2018
Regularized Orbital-Optimized Second-Order Møller-Plesset Perturbation Theory: A Reliable Fifth-Order-Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers
Joonho Lee, Martin Head-Gordon
Page
of 65