Search research articles
Contact Us
Filters
Showing results (181-190 of 258) with videos related to
Page
of 26
Sort By:
The Journal of Physical Chemistry. A
|
June 15, 2019
Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to Radon
George Schoendorff, Aaron C West, Michael W Schmidt, et al.
The Journal of Physical Chemistry. A
|
June 10, 2010
Solvent-induced frequency shifts: configuration interaction singles combined with the effective fragment potential method
Pooja Arora, Lyudmila V Slipchenko, Simon P Webb, et al.
Journal of Computational Chemistry
|
March 11, 2004
A new hierarchical parallelization scheme: generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)
Dmitri G Fedorov, Ryan M Olson, Kazuo Kitaura, et al.
The Journal of Physical Chemistry. A
|
October 21, 2014
Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-azomethane
Alexander Gaenko, Albert DeFusco, Sergey A Varganov, et al.
Journal of Computational Chemistry
|
October 30, 2015
Nontotally symmetric trifurcation of an SN 2 reaction pathway
Yu Harabuchi, Yuriko Ono, Satoshi Maeda, et al.
The Journal of Physical Chemistry. A
|
August 23, 2016
Threshold Ionization and Spin-Orbit Coupling of Ceracyclopropene Formed by Ethylene Dehydrogenation
Yuchen Zhang, Michael W Schmidt, Sudesh Kumari, et al.
Journal of Computational Chemistry
|
April 11, 2006
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO)
Dmitri G Fedorov, Kazuo Kitaura, Hui Li, et al.
The Journal of Chemical Physics
|
July 23, 2004
A study of the reactions of molecular hydrogen with small gold clusters
Sergey A Varganov, Ryan M Olson, Mark S Gordon, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Fragment Molecular Orbital Molecular Dynamics with the Fully Analytic Energy Gradient
Kurt R Brorsen, Noriyuki Minezawa, Feng Xu, et al.
The Journal of Physical Chemistry. A
|
August 31, 2018
Solvation of the Glycyl Radical
Bun Chan, Jamie Rintelman, Geoffrey P F Wood, et al.
Page
of 26
Search research articles
Search
Showing results (181-190 of 258) with videos related to
Sort By:
Page
of 26
The Journal of Physical Chemistry. A
|
June 15, 2019
Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to Radon
George Schoendorff, Aaron C West, Michael W Schmidt, et al.
The Journal of Physical Chemistry. A
|
June 10, 2010
Solvent-induced frequency shifts: configuration interaction singles combined with the effective fragment potential method
Pooja Arora, Lyudmila V Slipchenko, Simon P Webb, et al.
Journal of Computational Chemistry
|
March 11, 2004
A new hierarchical parallelization scheme: generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)
Dmitri G Fedorov, Ryan M Olson, Kazuo Kitaura, et al.
The Journal of Physical Chemistry. A
|
October 21, 2014
Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-azomethane
Alexander Gaenko, Albert DeFusco, Sergey A Varganov, et al.
Journal of Computational Chemistry
|
October 30, 2015
Nontotally symmetric trifurcation of an SN 2 reaction pathway
Yu Harabuchi, Yuriko Ono, Satoshi Maeda, et al.
The Journal of Physical Chemistry. A
|
August 23, 2016
Threshold Ionization and Spin-Orbit Coupling of Ceracyclopropene Formed by Ethylene Dehydrogenation
Yuchen Zhang, Michael W Schmidt, Sudesh Kumari, et al.
Journal of Computational Chemistry
|
April 11, 2006
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO)
Dmitri G Fedorov, Kazuo Kitaura, Hui Li, et al.
The Journal of Chemical Physics
|
July 23, 2004
A study of the reactions of molecular hydrogen with small gold clusters
Sergey A Varganov, Ryan M Olson, Mark S Gordon, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Fragment Molecular Orbital Molecular Dynamics with the Fully Analytic Energy Gradient
Kurt R Brorsen, Noriyuki Minezawa, Feng Xu, et al.
The Journal of Physical Chemistry. A
|
August 31, 2018
Solvation of the Glycyl Radical
Bun Chan, Jamie Rintelman, Geoffrey P F Wood, et al.
Page
of 26