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The Journal of Physical Chemistry. A
|
May 30, 2015
Nonadiabatic Photodissociation of the Hydroxymethyl Radical from the 2(2)A State. Surface Hopping Simulations Based on a Full Nine-Dimensional Representation of the 1,2,3(2)A Potential Energy Surfaces Coupled by Conical Intersections
Christopher L Malbon, David R Yarkony
Journal of Chemical Theory and Computation
|
April 2, 2025
Nuclear-Electronic Orbital Multireference Configuration Interaction for Ground and Excited Vibronic States and Fundamental Insights into Multicomponent Basis Sets
Christopher L Malbon, Sharon Hammes-Schiffer
The Journal of Chemical Physics
|
April 10, 2017
Multistate, multichannel coupled diabatic state representations of adiabatic states coupled by conical intersections. CH<sub>2</sub>OH photodissociation
Christopher L Malbon, David R Yarkony
The Journal of Chemical Physics
|
April 3, 2016
An improved quasi-diabatic representation of the 1, 2, 3(1)A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates
Xiaolei Zhu, Christopher L Malbon, David R Yarkony
The Journal of Physical Chemistry Letters
|
July 23, 2025
Computing Hydrogen Tunneling Splittings with Nuclear-Electronic Orbital Multireference Configuration Interaction
Rachel J Stein, Christopher L Malbon, Sharon Hammes-Schiffer
Accounts of Chemical Research
|
February 2, 2019
Up to a Sign. The Insidious Effects of Energetically Inaccessible Conical Intersections on Unimolecular Reactions
Changjian Xie, Christopher L Malbon, Hua Guo, et al.
The Journal of Chemical Physics
|
December 25, 2016
On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data
Christopher L Malbon, Xiaolei Zhu, Hua Guo, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2020
On the nonadiabatic collisional quenching of OH(A) by H<sub>2</sub>: a four coupled quasi-diabatic state description
Christopher L Malbon, Bin Zhao, Hua Guo, et al.
The Journal of Chemical Physics
|
August 3, 2017
Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems
Changjian Xie, Christopher L Malbon, David R Yarkony, et al.
The Journal of Physical Chemistry. A
|
February 22, 2019
Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 3<sup>2</sup>A(3p <sub>x</sub>) Rydberg State: A Nine-Dimensional Quantum Study
Changjian Xie, Christopher L Malbon, Daiqian Xie, et al.
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Search research articles
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Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
May 30, 2015
Nonadiabatic Photodissociation of the Hydroxymethyl Radical from the 2(2)A State. Surface Hopping Simulations Based on a Full Nine-Dimensional Representation of the 1,2,3(2)A Potential Energy Surfaces Coupled by Conical Intersections
Christopher L Malbon, David R Yarkony
Journal of Chemical Theory and Computation
|
April 2, 2025
Nuclear-Electronic Orbital Multireference Configuration Interaction for Ground and Excited Vibronic States and Fundamental Insights into Multicomponent Basis Sets
Christopher L Malbon, Sharon Hammes-Schiffer
The Journal of Chemical Physics
|
April 10, 2017
Multistate, multichannel coupled diabatic state representations of adiabatic states coupled by conical intersections. CH<sub>2</sub>OH photodissociation
Christopher L Malbon, David R Yarkony
The Journal of Chemical Physics
|
April 3, 2016
An improved quasi-diabatic representation of the 1, 2, 3(1)A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates
Xiaolei Zhu, Christopher L Malbon, David R Yarkony
The Journal of Physical Chemistry Letters
|
July 23, 2025
Computing Hydrogen Tunneling Splittings with Nuclear-Electronic Orbital Multireference Configuration Interaction
Rachel J Stein, Christopher L Malbon, Sharon Hammes-Schiffer
Accounts of Chemical Research
|
February 2, 2019
Up to a Sign. The Insidious Effects of Energetically Inaccessible Conical Intersections on Unimolecular Reactions
Changjian Xie, Christopher L Malbon, Hua Guo, et al.
The Journal of Chemical Physics
|
December 25, 2016
On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data
Christopher L Malbon, Xiaolei Zhu, Hua Guo, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2020
On the nonadiabatic collisional quenching of OH(A) by H<sub>2</sub>: a four coupled quasi-diabatic state description
Christopher L Malbon, Bin Zhao, Hua Guo, et al.
The Journal of Chemical Physics
|
August 3, 2017
Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems
Changjian Xie, Christopher L Malbon, David R Yarkony, et al.
The Journal of Physical Chemistry. A
|
February 22, 2019
Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 3<sup>2</sup>A(3p <sub>x</sub>) Rydberg State: A Nine-Dimensional Quantum Study
Changjian Xie, Christopher L Malbon, Daiqian Xie, et al.
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