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3D QSAR based on conceptual DFT molecular fields: antituberculotic activity

Sofie Van Damme UGent and Patrick Bultinck UGent (2010) JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 943(1-3). p.83-89
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author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
DENSITY-FUNCTIONAL THEORY, METABOLIZING CYP2A6 ENZYME, CHEMICAL-REACTIVITY, ANALYSIS COMFA, FUKUI FUNCTION, SHAPE, INHIBITORS, SYSTEMS, VIEWPOINT, PRINCIPLE, Tuberculosis, Conceptual DFT, 3D QSAR
journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Theochem-J. Mol. Struct.
volume
943
issue
1-3
issue title
Conceptual aspects of electron densities and density functionals
pages
83 - 89
Web of Science type
Article
Web of Science id
000275587600013
JCR category
CHEMISTRY, PHYSICAL
JCR impact factor
1.288 (2010)
JCR rank
88/125 (2010)
JCR quartile
3 (2010)
ISSN
0166-1280
DOI
10.1016/j.theochem.2009.10.031
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
799928
handle
http://hdl.handle.net/1854/LU-799928
date created
2009-12-04 14:16:59
date last changed
2018-01-29 12:12:54
@article{799928,
  author       = {Van Damme, Sofie and Bultinck, Patrick},
  issn         = {0166-1280},
  journal      = {JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM},
  keyword      = {DENSITY-FUNCTIONAL THEORY,METABOLIZING CYP2A6 ENZYME,CHEMICAL-REACTIVITY,ANALYSIS COMFA,FUKUI FUNCTION,SHAPE,INHIBITORS,SYSTEMS,VIEWPOINT,PRINCIPLE,Tuberculosis,Conceptual DFT,3D QSAR},
  language     = {eng},
  number       = {1-3},
  pages        = {83--89},
  title        = {3D QSAR based on conceptual DFT molecular fields: antituberculotic activity},
  url          = {http://dx.doi.org/10.1016/j.theochem.2009.10.031},
  volume       = {943},
  year         = {2010},
}

Chicago
Van Damme, Sofie, and Patrick Bultinck. 2010. “3D QSAR Based on Conceptual DFT Molecular Fields: Antituberculotic Activity.” Journal of Molecular Structure-theochem 943 (1-3): 83–89.
APA
Van Damme, Sofie, & Bultinck, P. (2010). 3D QSAR based on conceptual DFT molecular fields: antituberculotic activity. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 943(1-3), 83–89.
Vancouver
1.
Van Damme S, Bultinck P. 3D QSAR based on conceptual DFT molecular fields: antituberculotic activity. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2010;943(1-3):83–9.
MLA
Van Damme, Sofie, and Patrick Bultinck. “3D QSAR Based on Conceptual DFT Molecular Fields: Antituberculotic Activity.” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 943.1-3 (2010): 83–89. Print.