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Calculating reaction rates with partial Hessians: Validation of the mobile block Hessian approach

An Ghysels UGent, Veronique Van Speybroeck UGent, Toon Verstraelen UGent, Dimitri Van Neck UGent and Michel Waroquier UGent (2008) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 4(4). p.614-625
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle
publication status
published
subject
journal title
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
J. Chem. Theory Comput.
volume
4
issue
4
pages
614-625 pages
Web of Science type
Article
Web of Science id
000254710700008
JCR category
CHEMISTRY, MULTIDISCIPLINARY
JCR impact factor
4.274 (2008)
JCR rank
17/125 (2008)
JCR quartile
1 (2008)
ISSN
1549-9618
language
English
UGent publication?
yes
classification
A1
id
397536
handle
http://hdl.handle.net/1854/LU-397536
date created
2008-04-24 09:50:00
date last changed
2008-04-29 10:11:50
@article{397536,
  author       = {Ghysels, An and Van Speybroeck, Veronique and Verstraelen, Toon and Van Neck, Dimitri and Waroquier, Michel},
  issn         = {1549-9618},
  journal      = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION},
  language     = {eng},
  number       = {4},
  pages        = {614--625},
  title        = {Calculating reaction rates with partial Hessians: Validation of the mobile block Hessian approach},
  volume       = {4},
  year         = {2008},
}

Chicago
Ghysels, An, Veronique Van Speybroeck, Toon Verstraelen, Dimitri Van Neck, and Michel Waroquier. 2008. “Calculating Reaction Rates with Partial Hessians: Validation of the Mobile Block Hessian Approach.” Journal of Chemical Theory and Computation 4 (4): 614–625.
APA
Ghysels, A., Van Speybroeck, V., Verstraelen, T., Van Neck, D., & Waroquier, M. (2008). Calculating reaction rates with partial Hessians: Validation of the mobile block Hessian approach. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 4(4), 614–625.
Vancouver
1.
Ghysels A, Van Speybroeck V, Verstraelen T, Van Neck D, Waroquier M. Calculating reaction rates with partial Hessians: Validation of the mobile block Hessian approach. JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 2008;4(4):614–25.
MLA
Ghysels, An, Veronique Van Speybroeck, Toon Verstraelen, et al. “Calculating Reaction Rates with Partial Hessians: Validation of the Mobile Block Hessian Approach.” JOURNAL OF CHEMICAL THEORY AND COMPUTATION 4.4 (2008): 614–625. Print.