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ORCIDWolfgang Quapp
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2020 – today
- 2020
[j11]Wolfgang Quapp
, Josep Maria Bofill:
Some Mathematical Reasoning on the Artificial Force Induced Reaction Method. J. Comput. Chem. 41(7): 629-634 (2020)
2010 – 2019
- 2016
- [j10]Wolfgang Quapp, Josep Maria Bofill:
Reaction rates in a theory of mechanochemical pathways. J. Comput. Chem. 37(27): 2467-2478 (2016) - 2011
- [j9]Wolfgang Quapp, Josep Maria Bofill:
Reply to the comment by Sheppard and Henkelman on the nudged elastic band method. J. Comput. Chem. 32(8): 1772-1773 (2011) - 2010
- [j8]Wolfgang Quapp, Alraune Zech:
Transition state theory with Tsallis statistics. J. Comput. Chem. 31(3): 573-585 (2010) - [j7]Wolfgang Quapp, Josep Maria Bofill:
A comment to the nudged elastic band method. J. Comput. Chem. 31(13): 2526-2531 (2010)
2000 – 2009
- 2007
- [j6]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): 1834-1847 (2007) - 2004
- [j5]Wolfgang Quapp:
Reaction pathways and projection operators: Application to string methods. J. Comput. Chem. 25(10): 1277-1285 (2004) - 2002
- [j4]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): 576-583 (2002) - [j3]Michael Hirsch, Wolfgang Quapp:
Improved RGF method to find saddle points. J. Comput. Chem. 23(9): 887-894 (2002) - 2001
- [j2]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): 537-540 (2001)
1990 – 1999
- 1998
- [j1]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): 1087-1100 (1998)
Coauthor Index
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