Ab initio static and molecular dynamics study of 4-styrylpyridine: Structure, energy and reactivity of the cis and trans isomers in the ground state
ContributorsLawson Daku, Latevi Max; Linares, Jorge; Boillot, Marie-Laure
Published inChemPhysChem, vol. 8, no. 9, p. 1402-1416
Publication date2007
Abstract
Keywords
- Ab initio calculations
- Density functional calculations
- Isomerization
- Molecular dynamics
- Transition states
Affiliation entities
Research groups
Citation (ISO format)
LAWSON DAKU, Latevi Max, LINARES, Jorge, BOILLOT, Marie-Laure. Ab initio static and molecular dynamics study of 4-styrylpyridine: Structure, energy and reactivity of the cis and trans isomers in the ground state. In: ChemPhysChem, 2007, vol. 8, n° 9, p. 1402–1416. doi: 10.1002/cphc.200700117
Main files (1)
Article (Published version)
Identifiers
- PID : unige:3195
- DOI : 10.1002/cphc.200700117
Journal ISSN1439-4235