Comparison of Three Chain-of-States Methods: Nudged Elastic Band and Replica Path with Restraints or Constraints-Reference-Cited by-同舟云学术

Comparison of Three Chain-of-States Methods: Nudged Elastic Band and Replica Path with Restraints or Constraints

Published:2012-10-12 Issue:12 Volume:8 Page:5035-5051
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Tao Peng¹,Hodošček Milan²,Larkin Joseph D.¹,Shao Yihan¹³,Brooks Bernard R.¹

Affiliation:

1. Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, United States

2. Center for Molecular Modeling, National Institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia

3. Q-Chem Inc., 5001 Baum Boulevard, Suite 690, Pittsburgh, Pennsylvania 15213, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct3006248

Reference85 articles.

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4. March, J.March’s Advanced organic chemistry: Reactions, mechanisms and structures,5th ed.Wiley:New York, NY, 2001; pp389–1604.

5. Bader, R. F. W.; Gangi, R. A.InTheoretical Chemistry;Dixon, R. N.; Thomson, C., Eds.Royal Society of Chemistry:Cambridge, 1975; pp1–65.

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