Wolfgang Quapp

Publication Activity (10 Years)

Years Active: 1998-2020
Publications (10 Years): 2

Top Topics

Top Venues

J. Comput. Chem.

Publications

Wolfgang Quapp, Josep Maria Bofill
Some Mathematical Reasoning on the Artificial Force Induced Reaction Method. J. Comput. Chem. 41 (7) (2020)
Wolfgang Quapp, Josep Maria Bofill
Reaction rates in a theory of mechanochemical pathways. J. Comput. Chem. 37 (27) (2016)
Wolfgang Quapp, Josep Maria Bofill
Reply to the comment by Sheppard and Henkelman on the nudged elastic band method. J. Comput. Chem. 32 (8) (2011)
Wolfgang Quapp, Alraune Zech
Transition state theory with Tsallis statistics. J. Comput. Chem. 31 (3) (2010)
Wolfgang Quapp, Josep Maria Bofill
A comment to the nudged elastic band method. J. Comput. Chem. 31 (13) (2010)
Wolfgang Quapp
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. J. Comput. Chem. 28 (11) (2007)
Wolfgang Quapp
Reaction pathways and projection operators: Application to string methods. J. Comput. Chem. 25 (10) (2004)
Michal Dallos, Hans Lischka, Elizete Ventura Do Monte, Michael Hirsch, Wolfgang Quapp
Determination of energy minima and saddle points using multireference configuration interaction methods in combination with reduced gradient following: The S0 surface of H2CO and the T1 and T2 surfaces of acetylene. J. Comput. Chem. 23 (5) (2002)
Michael Hirsch, Wolfgang Quapp
Improved RGF method to find saddle points. J. Comput. Chem. 23 (9) (2002)
Wolfgang Quapp
Comment On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states [by J. M. Anglada, E. Besalú, J. M. Bofill, and R. Crehuet, J Comput Chem 2001, 22, 4, 387-406]. J. Comput. Chem. 22 (5) (2001)
Wolfgang Quapp, Michael Hirsch, Olaf Imig, Dietmar Heidrich
Searching for saddle points of potential energy surfaces by following a reduced gradient. J. Comput. Chem. 19 (9) (1998)