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Journal of Computational Chemistry
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March 8, 2007
Finding the transition state without initial guess: the growing string method for Newton trajectory to isomerization and enantiomerization reaction of alanine dipeptide and poly(15)alanine
Wolfgang Quapp
Journal of Computational Chemistry
|
May 13, 2004
Reaction pathways and projection operators: application to string methods
Wolfgang Quapp
The Journal of Chemical Physics
|
May 25, 2005
A growing string method for the reaction pathway defined by a Newton trajectory
Wolfgang Quapp
The Journal of Chemical Physics
|
November 9, 2015
Comment on "Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au5" [J. Chem. Phys. 143, 014301 (2015)]
Wolfgang Quapp
The Journal of Chemical Physics
|
February 24, 2011
Variational nature, integration, and properties of Newton reaction path
Josep Maria Bofill, Wolfgang Quapp
Journal of Computational Chemistry
|
June 17, 2009
Transition state theory with Tsallis statistics
Wolfgang Quapp, Alraune Zech
Journal of Computational Chemistry
|
May 2, 2002
Improved RGF method to find saddle points
Michael Hirsch, Wolfgang Quapp
Journal of Computational Chemistry
|
August 25, 2016
Reaction rates in a theory of mechanochemical pathways
Wolfgang Quapp, Josep Maria Bofill
Journal of Computational Chemistry
|
December 4, 2019
Some Mathematical Reasoning on the Artificial Force Induced Reaction Method
Wolfgang Quapp, Josep Maria Bofill
The Journal of Physical Chemistry. B
|
January 26, 2016
Comment on "Reaction Coordinates and Pathways of Mechanochemical Transformations"
Wolfgang Quapp, Josep Maria Bofill
Page
of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
March 8, 2007
Finding the transition state without initial guess: the growing string method for Newton trajectory to isomerization and enantiomerization reaction of alanine dipeptide and poly(15)alanine
Wolfgang Quapp
Journal of Computational Chemistry
|
May 13, 2004
Reaction pathways and projection operators: application to string methods
Wolfgang Quapp
The Journal of Chemical Physics
|
May 25, 2005
A growing string method for the reaction pathway defined by a Newton trajectory
Wolfgang Quapp
The Journal of Chemical Physics
|
November 9, 2015
Comment on "Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au5" [J. Chem. Phys. 143, 014301 (2015)]
Wolfgang Quapp
The Journal of Chemical Physics
|
February 24, 2011
Variational nature, integration, and properties of Newton reaction path
Josep Maria Bofill, Wolfgang Quapp
Journal of Computational Chemistry
|
June 17, 2009
Transition state theory with Tsallis statistics
Wolfgang Quapp, Alraune Zech
Journal of Computational Chemistry
|
May 2, 2002
Improved RGF method to find saddle points
Michael Hirsch, Wolfgang Quapp
Journal of Computational Chemistry
|
August 25, 2016
Reaction rates in a theory of mechanochemical pathways
Wolfgang Quapp, Josep Maria Bofill
Journal of Computational Chemistry
|
December 4, 2019
Some Mathematical Reasoning on the Artificial Force Induced Reaction Method
Wolfgang Quapp, Josep Maria Bofill
The Journal of Physical Chemistry. B
|
January 26, 2016
Comment on "Reaction Coordinates and Pathways of Mechanochemical Transformations"
Wolfgang Quapp, Josep Maria Bofill
Page
of 3