Wolfgang Quapp

11 papers Journal 11

Year	Rank	Type	Title / Venue / Authors
2020	J	`jnl`	Some Mathematical Reasoning on the Artificial Force Induced Reaction Method. J. Comput. Chem. Wolfgang Quapp, Josep Maria Bofill
2016	J	`jnl`	Reaction rates in a theory of mechanochemical pathways. J. Comput. Chem. Wolfgang Quapp, Josep Maria Bofill
2011	J	`jnl`	Reply to the comment by Sheppard and Henkelman on the nudged elastic band method. J. Comput. Chem. Wolfgang Quapp, Josep Maria Bofill
2010	J	`jnl`	A comment to the nudged elastic band method. J. Comput. Chem. Wolfgang Quapp, Josep Maria Bofill
2010	J	`jnl`	Transition state theory with Tsallis statistics. J. Comput. Chem. Wolfgang Quapp, Alraune Zech
2007	J	`jnl`	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. Wolfgang Quapp
2004	J	`jnl`	Reaction pathways and projection operators: Application to string methods. J. Comput. Chem. Wolfgang Quapp
2002	J	`jnl`	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. Michal Dallos, Hans Lischka, Elizete Ventura Do Monte, Michael Hirsch, Wolfgang Quapp
2002	J	`jnl`	Improved RGF method to find saddle points. J. Comput. Chem. Michael Hirsch, Wolfgang Quapp
2001	J	`jnl`	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. Wolfgang Quapp
1998	J	`jnl`	Searching for saddle points of potential energy surfaces by following a reduced gradient. J. Comput. Chem. Wolfgang Quapp, Michael Hirsch, Olaf Imig, Dietmar Heidrich