Details
Originalsprache | Englisch |
---|---|
Seiten (von - bis) | 1943-1947 |
Seitenumfang | 5 |
Fachzeitschrift | ChemPhysChem |
Jahrgang | 6 |
Ausgabenummer | 9 |
Publikationsstatus | Veröffentlicht - 5 Sept. 2005 |
Extern publiziert | Ja |
Abstract
We present a first-principles molecular dynamics study of the excited-state motion in a molecule that has recently been proven to exhibit light-driven unidirectional rotation. The simulations show that the directed motion is due to the complex excited-state dynamics on ultrashort timescales in the chiral system.
ASJC Scopus Sachgebiete
- Physik und Astronomie (insg.)
- Atom- und Molekularphysik sowie Optik
- Chemie (insg.)
- Physikalische und Theoretische Chemie
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in: ChemPhysChem, Jahrgang 6, Nr. 9, 05.09.2005, S. 1943-1947.
Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review
}
TY - JOUR
T1 - Light-driven unidirectional rotation in a molecule
T2 - ROKS simulation
AU - Grimm, Stephan
AU - Bräuchle, Christoph
AU - Frank, Irmgard
PY - 2005/9/5
Y1 - 2005/9/5
N2 - We present a first-principles molecular dynamics study of the excited-state motion in a molecule that has recently been proven to exhibit light-driven unidirectional rotation. The simulations show that the directed motion is due to the complex excited-state dynamics on ultrashort timescales in the chiral system.
AB - We present a first-principles molecular dynamics study of the excited-state motion in a molecule that has recently been proven to exhibit light-driven unidirectional rotation. The simulations show that the directed motion is due to the complex excited-state dynamics on ultrashort timescales in the chiral system.
KW - Density functional calculations
KW - Isomerization
KW - Molecular dynamics
KW - Molecular rotor
KW - Photoreactions
UR - http://www.scopus.com/inward/record.url?scp=24944589099&partnerID=8YFLogxK
U2 - 10.1002/cphc.200400529
DO - 10.1002/cphc.200400529
M3 - Article
AN - SCOPUS:24944589099
VL - 6
SP - 1943
EP - 1947
JO - ChemPhysChem
JF - ChemPhysChem
SN - 1439-4235
IS - 9
ER -