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Quantum similarity of isosteres coordinate versus momentum space and influence of alignment

Ricardo Vivas-Reyes, Andersson Arias, Jelle Vandenbussche, Christian Van Alsenoy and Patrick Bultinck UGent (2010) JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 943(1-3). p.183-188
Please use this url to cite or link to this publication:
author
organization
alternative title
Quantum similarity of isosteres : coordinate versus momentum space and influence of alignment
year
type
journalArticle (original)
publication status
published
subject
keyword
ATOMIC SHELL APPROXIMATION, DENSITY, Molecular similarities, TGSA algorithm, Peptide isosteres, Momentum space, ASA approach, ANALOGS, PSI(E, DESCRIPTORS, Quantum similarity, CH=CH), MOLECULAR SIMILARITY, BIOLOGICAL-ACTIVITIES, SUPERPOSITION ALGORITHM, TGSA, REPLACEMENT
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
183 - 188
Web of Science type
Article
Web of Science id
000275587600026
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.2009.12.028
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
799975
handle
http://hdl.handle.net/1854/LU-799975
date created
2009-12-04 14:30:37
date last changed
2018-01-29 12:12:38
@article{799975,
  author       = {Vivas-Reyes, Ricardo and Arias, Andersson and Vandenbussche, Jelle and Van Alsenoy, Christian and Bultinck, Patrick},
  issn         = {0166-1280},
  journal      = {JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM},
  keyword      = {ATOMIC SHELL APPROXIMATION,DENSITY,Molecular similarities,TGSA algorithm,Peptide isosteres,Momentum space,ASA approach,ANALOGS,PSI(E,DESCRIPTORS,Quantum similarity,CH=CH),MOLECULAR SIMILARITY,BIOLOGICAL-ACTIVITIES,SUPERPOSITION ALGORITHM,TGSA,REPLACEMENT},
  language     = {eng},
  number       = {1-3},
  pages        = {183--188},
  title        = {Quantum similarity of isosteres coordinate versus momentum space and influence of alignment},
  url          = {http://dx.doi.org/10.1016/j.theochem.2009.12.028},
  volume       = {943},
  year         = {2010},
}

Chicago
Vivas-Reyes, Ricardo, Andersson Arias, Jelle Vandenbussche, Christian Van Alsenoy, and Patrick Bultinck. 2010. “Quantum Similarity of Isosteres Coordinate Versus Momentum Space and Influence of Alignment.” Journal of Molecular Structure-theochem 943 (1-3): 183–188.
APA
Vivas-Reyes, R., Arias, A., Vandenbussche, J., Van Alsenoy, C., & Bultinck, P. (2010). Quantum similarity of isosteres coordinate versus momentum space and influence of alignment. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 943(1-3), 183–188.
Vancouver
1.
Vivas-Reyes R, Arias A, Vandenbussche J, Van Alsenoy C, Bultinck P. Quantum similarity of isosteres coordinate versus momentum space and influence of alignment. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2010;943(1-3):183–8.
MLA
Vivas-Reyes, Ricardo, Andersson Arias, Jelle Vandenbussche, et al. “Quantum Similarity of Isosteres Coordinate Versus Momentum Space and Influence of Alignment.” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 943.1-3 (2010): 183–188. Print.