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The Journal of Chemical Physics
|
April 1, 2023
Molecular vibrations in the presence of velocity-dependent forces
Erik I Tellgren, Tanner Culpitt, Laurens D M Peters, et al.
The Journal of Chemical Physics
|
March 22, 2023
Time-dependent nuclear-electronic orbital Hartree-Fock theory in a strong uniform magnetic field
Tanner Culpitt, Laurens D M Peters, Erik I Tellgren, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 21, 2004
The calculation of indirect nuclear spin-spin coupling constants in large molecules
Mark A Watson, Paweł Sałek, Peter Macak, et al.
The Journal of Chemical Physics
|
February 6, 2008
Excitation energies in density functional theory: an evaluation and a diagnostic test
Michael J G Peach, Peter Benfield, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
July 16, 2021
Ab initio molecular dynamics with screened Lorentz forces. I. Calculation and atomic charge interpretation of Berry curvature
Tanner Culpitt, Laurens D M Peters, Erik I Tellgren, et al.
The Journal of Chemical Physics
|
October 15, 2013
Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory
Alexandrina Stoyanova, Andrew M Teale, Julien Toulouse, et al.
The Journal of Chemical Physics
|
August 3, 2014
Excitation energies along a range-separated adiabatic connection
Elisa Rebolini, Julien Toulouse, Andrew M Teale, et al.
Inorganic Chemistry
|
November 23, 2020
First-Principles Calculation of <sup>1</sup>H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics
Abril C Castro, David Balcells, Michal Repisky, et al.
The Journal of Chemical Physics
|
February 2, 2022
Analytic calculation of the Berry curvature and diagonal Born-Oppenheimer correction for molecular systems in uniform magnetic fields
Tanner Culpitt, Laurens D M Peters, Erik I Tellgren, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 18, 2023
Carbon dioxide adsorption to UiO-66: theoretical analysis of binding energy and NMR properties
Michiko Atsumi, Jia-Jia Zheng, Erik Tellgren, et al.
Page
of 12
Search research articles
Search
Showing results (51-60 of 117) with videos related to
Sort By:
Page
of 12
The Journal of Chemical Physics
|
April 1, 2023
Molecular vibrations in the presence of velocity-dependent forces
Erik I Tellgren, Tanner Culpitt, Laurens D M Peters, et al.
The Journal of Chemical Physics
|
March 22, 2023
Time-dependent nuclear-electronic orbital Hartree-Fock theory in a strong uniform magnetic field
Tanner Culpitt, Laurens D M Peters, Erik I Tellgren, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 21, 2004
The calculation of indirect nuclear spin-spin coupling constants in large molecules
Mark A Watson, Paweł Sałek, Peter Macak, et al.
The Journal of Chemical Physics
|
February 6, 2008
Excitation energies in density functional theory: an evaluation and a diagnostic test
Michael J G Peach, Peter Benfield, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
July 16, 2021
Ab initio molecular dynamics with screened Lorentz forces. I. Calculation and atomic charge interpretation of Berry curvature
Tanner Culpitt, Laurens D M Peters, Erik I Tellgren, et al.
The Journal of Chemical Physics
|
October 15, 2013
Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory
Alexandrina Stoyanova, Andrew M Teale, Julien Toulouse, et al.
The Journal of Chemical Physics
|
August 3, 2014
Excitation energies along a range-separated adiabatic connection
Elisa Rebolini, Julien Toulouse, Andrew M Teale, et al.
Inorganic Chemistry
|
November 23, 2020
First-Principles Calculation of <sup>1</sup>H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics
Abril C Castro, David Balcells, Michal Repisky, et al.
The Journal of Chemical Physics
|
February 2, 2022
Analytic calculation of the Berry curvature and diagonal Born-Oppenheimer correction for molecular systems in uniform magnetic fields
Tanner Culpitt, Laurens D M Peters, Erik I Tellgren, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 18, 2023
Carbon dioxide adsorption to UiO-66: theoretical analysis of binding energy and NMR properties
Michiko Atsumi, Jia-Jia Zheng, Erik Tellgren, et al.
Page
of 12