5 статей J.Comp.Chem,, J. Chem. Phys. etc

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1)

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http://dx.doi.org/10.1002/jcc.540070402 

An algorithm for the location of transition states
Jon Baker

Journal of Computational Chemistry
Volume 7 Issue 4, Pages 385 - 395

2)

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http://dx.doi.org/10.1016/j.cplett.2003.12.030

A scaled hypersphere search method for the topography of reaction pathways on the potential energy surface

Koichi Ohno, Satoshi Maeda

Chemical Physics Letters
Volume 384, Issues 4-6, 26 January 2004, Pages 277-282


3)

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http://dx.doi.org/10.1063/1.1636455

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

Semen A. Trygubenko and David J. Wales




4)

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http://dx.doi.org/10.1063/1.1809574

Comparison of methods for finding saddle points without knowledge of the final states
J. Chem. Phys. 121, 9776 (2004)


R. A. Olsen and G. J. Kroes G. Henkelman A. Arnaldsson



5)

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http://dx.doi.org/10.1063/1.2104507

J. Chem. Phys. / Volume 123 / Issue 22 / ARTICLES / Theoretical Methods and Algorithms

Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method


6)

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http://dx.doi.org/10.1063/1.480097 

A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

Author(s): Henkelman G, Jonsson H
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 111 Issue: 15 Pages: 7010-7022 Published: OCT 15 1999

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P.S. 5-ую перезалью после того, как поправите запрос (в запросе не указаны авторы). Извините, но таковы правила...