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The Journal of Physical Chemistry. A
|
August 19, 2007
Ab initio thermochemistry of the hydrogenation of hydrocarbon radicals using silicon-, germanium-, tin-, and lead-substituted methane and isobutane
Berhane Temelso, C David Sherrill, Ralph C Merkle, et al.
The Journal of Chemical Physics
|
July 9, 2021
Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles
Zachary L Glick, Alexios Koutsoukas, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
August 24, 2020
Electronic structure software
C David Sherrill, David E Manolopoulos, Todd J Martínez, et al.
The Journal of Chemical Physics
|
August 10, 2015
Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding
Robert M Parrish, Jérôme F Gonthier, Clémence Corminbœuf, et al.
Journal of Chemical Theory and Computation
|
November 28, 2015
An Assessment of Density Functional Methods for Potential Energy Curves of Nonbonded Interactions: The XYG3 and B97-D Approximations
Álvaro Vázquez-Mayagoitia, C David Sherrill, Edoardo Aprà, et al.
The Journal of Physical Chemistry. B
|
November 3, 2017
Chloride Maintains a Protonated Internal Water Network in the Photosynthetic Oxygen Evolving Complex
Udita Brahmachari, Jérôme F Gonthier, C David Sherrill, et al.
Journal of Chemical Theory and Computation
|
May 16, 2018
Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes
Dominic A Sirianni, Asem Alenaizan, Daniel L Cheney, et al.
The Journal of Physical Chemistry. B
|
May 18, 2019
Water Bridges Conduct Sequential Proton Transfer in Photosynthetic Oxygen Evolution
Udita Brahmachari, Jérôme F Gonthier, C David Sherrill, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 4, 2006
The effect of multiple substituents on sandwich and T-shaped pi-pi interactions
Ashley L Ringer, Mutasem O Sinnokrot, Ryan P Lively, et al.
The Journal of Chemical Physics
|
December 20, 2012
Tensor hypercontraction. II. Least-squares renormalization
Robert M Parrish, Edward G Hohenstein, Todd J Martínez, et al.
Page
of 16
Search research articles
Search
Showing results (71-80 of 160) with videos related to
Sort By:
Page
of 16
The Journal of Physical Chemistry. A
|
August 19, 2007
Ab initio thermochemistry of the hydrogenation of hydrocarbon radicals using silicon-, germanium-, tin-, and lead-substituted methane and isobutane
Berhane Temelso, C David Sherrill, Ralph C Merkle, et al.
The Journal of Chemical Physics
|
July 9, 2021
Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles
Zachary L Glick, Alexios Koutsoukas, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
August 24, 2020
Electronic structure software
C David Sherrill, David E Manolopoulos, Todd J Martínez, et al.
The Journal of Chemical Physics
|
August 10, 2015
Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding
Robert M Parrish, Jérôme F Gonthier, Clémence Corminbœuf, et al.
Journal of Chemical Theory and Computation
|
November 28, 2015
An Assessment of Density Functional Methods for Potential Energy Curves of Nonbonded Interactions: The XYG3 and B97-D Approximations
Álvaro Vázquez-Mayagoitia, C David Sherrill, Edoardo Aprà, et al.
The Journal of Physical Chemistry. B
|
November 3, 2017
Chloride Maintains a Protonated Internal Water Network in the Photosynthetic Oxygen Evolving Complex
Udita Brahmachari, Jérôme F Gonthier, C David Sherrill, et al.
Journal of Chemical Theory and Computation
|
May 16, 2018
Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes
Dominic A Sirianni, Asem Alenaizan, Daniel L Cheney, et al.
The Journal of Physical Chemistry. B
|
May 18, 2019
Water Bridges Conduct Sequential Proton Transfer in Photosynthetic Oxygen Evolution
Udita Brahmachari, Jérôme F Gonthier, C David Sherrill, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 4, 2006
The effect of multiple substituents on sandwich and T-shaped pi-pi interactions
Ashley L Ringer, Mutasem O Sinnokrot, Ryan P Lively, et al.
The Journal of Chemical Physics
|
December 20, 2012
Tensor hypercontraction. II. Least-squares renormalization
Robert M Parrish, Edward G Hohenstein, Todd J Martínez, et al.
Page
of 16