S. Trygubenko

发表

A doubly nudged elastic band method for finding transition states.

D. Wales, S. Trygubenko, 2004, The Journal of chemical physics.

Graph transformation method for calculating waiting times in Markov chains.

David J Wales, D. Wales, S. Trygubenko, 2006, The Journal of chemical physics.

Kinetic analysis of discrete path sampling stationary point databases

David J. Wales, D. Wales, S. Trygubenko, 2006, cond-mat/0604165.

Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solutionDedicated to the memory of our friend and distinguished scientist Professor Peter Kollman.

F. J. Luque, M. Orozco, S. Trygubenko, 2002 .

Graph transformation method for calculating waiting times in Markov chains.

D. Wales, S. Trygubenko, 2006, The Journal of chemical physics.

A doubly nudged elastic band method for finding transition states.

D. Wales, S. Trygubenko, 2004, The Journal of chemical physics.

Analysis of cooperativity and localization for atomic rearrangements.

D. Wales, S. Trygubenko, 2004, The Journal of chemical physics.

Finding pathways between distant local minima.

D. Wales, S. Trygubenko, J. Carr, 2005, The Journal of chemical physics.

Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. guanine: surprising stabilization of rare tautomers in aqueous solution.

S. Trygubenko, T. Kubař, P. Hobza, 2003, Journal of the American Chemical Society.

Erratum: A doubly nudged elastic band method for finding transition states [J. Chem. Phys. 120, 2082 (2004)]

David J. Wales, D. Wales, S. Trygubenko, 2004 .

Symmetrization of the AMBER and CHARMM force fields

David J. Wales, Birgit Strodel, Szilard N. Fejer, 2010, J. Comput. Chem..