DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations-Reference-Cited by-同舟云学术

DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations

Published:2009-07-29 Issue:43 Volume:113 Page:11856-11865
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Kästner Johannes¹,Carr Joanne M.¹,Keal Thomas W.¹,Thiel Walter¹,Wander Adrian¹,Sherwood Paul¹

Affiliation:

1. Computational Science and Engineering Department, STFC Daresbury Laboratory, Daresbury, Warrington WA4 4AD, United Kingdom, and Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9028968

Reference70 articles.

1. Symmetries of activated complexes

2. http://www.gnu.org/licenses/lgpl.html.

3. http://ccpforge.cse.rl.ac.uk/projects/dl-find.

4. http://www.mpi-forum.org.

5. The GAMESS-UK electronic structure package: algorithms, developments and applications

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