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The gradient curves method: An improved strategy for the derivation of molecular mechanics valence force fields from ab initio data

Toon Verstraelen UGent, Dimitri Van Neck UGent, PW AYERS, Veronique Van Speybroeck UGent and Michel Waroquier UGent (2007) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 3(4). p.1420-1434
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
3
issue
4
pages
1420-1434 pages
publisher
AMER CHEMICAL SOC
Web of Science type
Article
Web of Science id
000247893400019
JCR category
CHEMISTRY, MULTIDISCIPLINARY
JCR impact factor
4.308 (2007)
JCR rank
16/124 (2007)
JCR quartile
1 (2007)
ISSN
1549-9618
language
English
UGent publication?
yes
classification
A1
id
383857
handle
http://hdl.handle.net/1854/LU-383857
date created
2007-12-19 08:39:00
date last changed
2008-02-22 23:02:34
@article{383857,
  author       = {Verstraelen, Toon and Van Neck, Dimitri and AYERS, PW and Van Speybroeck, Veronique and Waroquier, Michel},
  issn         = {1549-9618},
  journal      = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION},
  language     = {eng},
  number       = {4},
  pages        = {1420--1434},
  publisher    = {AMER CHEMICAL SOC},
  title        = {The gradient curves method: An improved strategy for the derivation of molecular mechanics valence force fields from ab initio data},
  volume       = {3},
  year         = {2007},
}

Chicago
Verstraelen, Toon, Dimitri Van Neck, PW AYERS, Veronique Van Speybroeck, and Michel Waroquier. 2007. “The Gradient Curves Method: An Improved Strategy for the Derivation of Molecular Mechanics Valence Force Fields from Ab Initio Data.” Journal of Chemical Theory and Computation 3 (4): 1420–1434.
APA
Verstraelen, T., Van Neck, D., AYERS, P., Van Speybroeck, V., & Waroquier, M. (2007). The gradient curves method: An improved strategy for the derivation of molecular mechanics valence force fields from ab initio data. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 3(4), 1420–1434.
Vancouver
1.
Verstraelen T, Van Neck D, AYERS P, Van Speybroeck V, Waroquier M. The gradient curves method: An improved strategy for the derivation of molecular mechanics valence force fields from ab initio data. JOURNAL OF CHEMICAL THEORY AND COMPUTATION. AMER CHEMICAL SOC; 2007;3(4):1420–34.
MLA
Verstraelen, Toon, Dimitri Van Neck, PW AYERS, et al. “The Gradient Curves Method: An Improved Strategy for the Derivation of Molecular Mechanics Valence Force Fields from Ab Initio Data.” JOURNAL OF CHEMICAL THEORY AND COMPUTATION 3.4 (2007): 1420–1434. Print.