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
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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, vol. 36, no. 3, 2015, pp. 181–92, doi:10.1002/jcc.23788.
- 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. https://doi.org/10.1002/jcc.23788
- 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): 181–92. https://doi.org/10.1002/jcc.23788.
- 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. doi:10.1002/jcc.23788.
- 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}},
}
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