VADER: New Software for Exploring Interconversions on Potential Energy Surfaces-Reference-Cited by-同舟云学术

VADER: New Software for Exploring Interconversions on Potential Energy Surfaces

Published:1999-06-22 Issue:4 Volume:39 Page:705-712
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Černohorský Martin¹,Kettou Sofiane¹,Koča Jaroslav¹

Affiliation:

1. Institute of Computer Science, Masaryk University, 602 00 Brno, Czech Republic, Department of Organic Chemistry, Faculty of Science, Masaryk University, 611 37 Brno, Czech Republic, and Laboratory of Biomolecular Structure and Dynamics, Faculty of Science, Masaryk University, 611 37 Brno, Czech Republic

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci9804138

Reference34 articles.

1. An example of numerical nonconvergence of a variable-metric method

2. An algorithm for the location of transition states

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