Symmetry calculation for molecules and transition states
- Author
- Nick Vandewiele (UGent) , Ruben Van de Vijver (UGent) , Kevin Van Geem (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)
- Organization
- Keywords
- GROUP ADDITIVE VALUES, BETA-SCISSION REACTIONS, DEVELOPMENT KIT CDK, SOURCE JAVA LIBRARY, GAS-PHASE, ACTIVATION-ENERGIES, COMPUTER-PROGRAM, PREEXPONENTIAL FACTORS, HYDROGEN ABSTRACTIONS, HYDROCARBON RADICALS, topological symmetry, automorphism, rotational symmetry number, reaction path degeneracy
Downloads
-
(...).pdf
- full text
- |
- UGent only
- |
- |
- 813.80 KB
Citation
Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-6957348
- MLA
- Vandewiele, Nick et al. “Symmetry Calculation for Molecules and Transition States.” JOURNAL OF COMPUTATIONAL CHEMISTRY 36.3 (2015): 181–192. Print.
- APA
- Vandewiele, N., Van de Vijver, R., Van Geem, K., Reyniers, M.-F., & Marin, G. (2015). Symmetry calculation for molecules and transition states. JOURNAL OF COMPUTATIONAL CHEMISTRY, 36(3), 181–192.
- Chicago author-date
- Vandewiele, Nick, Ruben Van de Vijver, Kevin Van Geem, Marie-Françoise Reyniers, and Guy Marin. 2015. “Symmetry Calculation for Molecules and Transition States.” Journal of Computational Chemistry 36 (3): 181–192.
- Chicago author-date (all authors)
- Vandewiele, Nick, Ruben Van de Vijver, Kevin Van Geem, Marie-Françoise Reyniers, and Guy Marin. 2015. “Symmetry Calculation for Molecules and Transition States.” Journal of Computational Chemistry 36 (3): 181–192.
- Vancouver
- 1.Vandewiele N, Van de Vijver R, Van Geem K, Reyniers M-F, Marin G. Symmetry calculation for molecules and transition states. JOURNAL OF COMPUTATIONAL CHEMISTRY. 2015;36(3):181–92.
- IEEE
- [1]N. Vandewiele, R. Van de Vijver, K. Van Geem, M.-F. Reyniers, and G. Marin, “Symmetry calculation for molecules and transition states,” JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 36, no. 3, pp. 181–192, 2015.
@article{6957348,
author = {Vandewiele, Nick and Van de Vijver, Ruben and Van Geem, Kevin and Reyniers, Marie-Françoise and Marin, Guy},
issn = {0192-8651},
journal = {JOURNAL OF COMPUTATIONAL CHEMISTRY},
keywords = {GROUP ADDITIVE VALUES,BETA-SCISSION REACTIONS,DEVELOPMENT KIT CDK,SOURCE JAVA LIBRARY,GAS-PHASE,ACTIVATION-ENERGIES,COMPUTER-PROGRAM,PREEXPONENTIAL FACTORS,HYDROGEN ABSTRACTIONS,HYDROCARBON RADICALS,topological symmetry,automorphism,rotational symmetry number,reaction path degeneracy},
language = {eng},
number = {3},
pages = {181--192},
title = {Symmetry calculation for molecules and transition states},
url = {http://dx.doi.org/10.1002/jcc.23788},
volume = {36},
year = {2015},
}
- Altmetric
- View in Altmetric
- Web of Science
- Times cited: