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Journal of Chemical Theory and Computation
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September 4, 2024
Ab Initio Multiple Spawning Nonadiabatic Dynamics with Different CASPT2 Flavors: A Fully Open-Source PySpawn/OpenMolcas Interface
Lea M Ibele, Arshad Memhood, Benjamin G Levine, et al.
The Journal of Chemical Physics
|
September 10, 2017
Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors
B Scott Fales, Yinan Shu, Benjamin G Levine, et al.
The Journal of Physical Chemistry. B
|
December 20, 2011
Surfactant concentration effects on micellar properties
Arben Jusufi, David N LeBard, Benjamin G Levine, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2017
Understanding Nonradiative Recombination through Defect-Induced Conical Intersections
Yinan Shu, B Scott Fales, Wei-Tao Peng, et al.
Chemical Science
|
April 10, 2018
Dynamics of recombination <i>via</i> conical intersection in a semiconductor nanocrystal
Wei-Tao Peng, B Scott Fales, Yinan Shu, et al.
Chemical Communications (Cambridge, England)
|
October 15, 2013
A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity
Amrendra K Singh, Benjamin G Levine, Richard J Staples, et al.
The Journal of Chemical Physics
|
November 25, 2024
Efficient and scalable wave function compression using corner hierarchical matrices
Kenneth O Berard, Hongji Gao, Alexander Teplukhin, et al.
The Journal of Physical Chemistry. A
|
November 18, 2008
On the extent and connectivity of conical intersection seams and the effects of three-state intersections
Joshua D Coe, Mitchell T Ong, Benjamin G Levine, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
March 2, 2011
Multiple Proton Confinement in the M2 Channel from the Influenza A Virus
Vincenzo Carnevale, Giacomo Fiorin, Benjamin G Levine, et al.
The Journal of Chemical Physics
|
March 9, 2021
CAS without SCF-Why to use CASCI and where to get the orbitals
Benjamin G Levine, Andrew S Durden, Michael P Esch, et al.
Page
of 8
Search research articles
Search
Showing results (31-40 of 76) with videos related to
Sort By:
Page
of 8
Journal of Chemical Theory and Computation
|
September 4, 2024
Ab Initio Multiple Spawning Nonadiabatic Dynamics with Different CASPT2 Flavors: A Fully Open-Source PySpawn/OpenMolcas Interface
Lea M Ibele, Arshad Memhood, Benjamin G Levine, et al.
The Journal of Chemical Physics
|
September 10, 2017
Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors
B Scott Fales, Yinan Shu, Benjamin G Levine, et al.
The Journal of Physical Chemistry. B
|
December 20, 2011
Surfactant concentration effects on micellar properties
Arben Jusufi, David N LeBard, Benjamin G Levine, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2017
Understanding Nonradiative Recombination through Defect-Induced Conical Intersections
Yinan Shu, B Scott Fales, Wei-Tao Peng, et al.
Chemical Science
|
April 10, 2018
Dynamics of recombination <i>via</i> conical intersection in a semiconductor nanocrystal
Wei-Tao Peng, B Scott Fales, Yinan Shu, et al.
Chemical Communications (Cambridge, England)
|
October 15, 2013
A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity
Amrendra K Singh, Benjamin G Levine, Richard J Staples, et al.
The Journal of Chemical Physics
|
November 25, 2024
Efficient and scalable wave function compression using corner hierarchical matrices
Kenneth O Berard, Hongji Gao, Alexander Teplukhin, et al.
The Journal of Physical Chemistry. A
|
November 18, 2008
On the extent and connectivity of conical intersection seams and the effects of three-state intersections
Joshua D Coe, Mitchell T Ong, Benjamin G Levine, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
March 2, 2011
Multiple Proton Confinement in the M2 Channel from the Influenza A Virus
Vincenzo Carnevale, Giacomo Fiorin, Benjamin G Levine, et al.
The Journal of Chemical Physics
|
March 9, 2021
CAS without SCF-Why to use CASCI and where to get the orbitals
Benjamin G Levine, Andrew S Durden, Michael P Esch, et al.
Page
of 8