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Comparative study of various normal mode analysis techniques based on partial Hessians

An Ghysels UGent, Veronique Van Speybroeck UGent, Ewald Pauwels UGent, Saron Catak UGent, Bernard R Brooks, Dimitri Van Neck UGent and Michel Waroquier UGent (2010) JOURNAL OF COMPUTATIONAL CHEMISTRY. 31(5). p.994-1007
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
PHVA, partial Hessian, Hessian, NMA, normal modes, vibrational modes, mobile block Hessian, MBH, vibrational subsystem analysis, VSA, RTB, partial optimization, LAO binding protein, cinchona
journal title
JOURNAL OF COMPUTATIONAL CHEMISTRY
J. Comput. Chem.
volume
31
issue
5
pages
994 - 1007
Web of Science type
Article
Web of Science id
000275523100010
JCR category
CHEMISTRY, MULTIDISCIPLINARY
JCR impact factor
4.05 (2010)
JCR rank
27/142 (2010)
JCR quartile
1 (2010)
ISSN
0192-8651
DOI
10.1002/jcc.21386
project
HPC-UGent: the central High Performance Computing infrastructure of Ghent University
language
English
UGent publication?
yes
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
830997
handle
http://hdl.handle.net/1854/LU-830997
date created
2010-01-20 11:08:49
date last changed
2013-09-17 10:50:07
@article{830997,
  author       = {Ghysels, An and Van Speybroeck, Veronique and Pauwels, Ewald and Catak, Saron and Brooks, Bernard R and Van Neck, Dimitri and Waroquier, Michel},
  issn         = {0192-8651},
  journal      = {JOURNAL OF COMPUTATIONAL CHEMISTRY},
  keyword      = {PHVA,partial Hessian,Hessian,NMA,normal modes,vibrational modes,mobile block Hessian,MBH,vibrational subsystem analysis,VSA,RTB,partial optimization,LAO binding protein,cinchona},
  language     = {eng},
  number       = {5},
  pages        = {994--1007},
  title        = {Comparative study of various normal mode analysis techniques based on partial Hessians},
  url          = {http://dx.doi.org/10.1002/jcc.21386},
  volume       = {31},
  year         = {2010},
}

Chicago
Ghysels, An, Veronique Van Speybroeck, Ewald Pauwels, Saron Catak, Bernard R Brooks, Dimitri Van Neck, and Michel Waroquier. 2010. “Comparative Study of Various Normal Mode Analysis Techniques Based on Partial Hessians.” Journal of Computational Chemistry 31 (5): 994–1007.
APA
Ghysels, A., Van Speybroeck, V., Pauwels, E., Catak, S., Brooks, B. R., Van Neck, D., & Waroquier, M. (2010). Comparative study of various normal mode analysis techniques based on partial Hessians. JOURNAL OF COMPUTATIONAL CHEMISTRY, 31(5), 994–1007.
Vancouver
1.
Ghysels A, Van Speybroeck V, Pauwels E, Catak S, Brooks BR, Van Neck D, et al. Comparative study of various normal mode analysis techniques based on partial Hessians. JOURNAL OF COMPUTATIONAL CHEMISTRY. 2010;31(5):994–1007.
MLA
Ghysels, An, Veronique Van Speybroeck, Ewald Pauwels, et al. “Comparative Study of Various Normal Mode Analysis Techniques Based on Partial Hessians.” JOURNAL OF COMPUTATIONAL CHEMISTRY 31.5 (2010): 994–1007. Print.