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Entries: 1-6  
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Diffusion of oriented single molecules with switchable mobility in networks of long unidimensional nanochannels
Authors: Jung, C.; Kirstein, J.; Platschek, B.; Bein, T.; Budde, M.; Frank, I.; Müllen, Klaus; Michaelis, J.; Bräuchle, C.
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Journal of the American Chemical Society
Volume: 130
Issue / Number: 5
Start Page: 1638
End Page: 1648
Document Type: Article
ID: 341695.0
Modelling photoreactions in proteins by density functional theory
Authors: Molteni, C.; Frank, I.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2001
Title of Journal: Computational Materials Science
Volume: 20
Start Page: 311
End Page: 317
Document Type: Article
ID: 182614.0
An excited state density functional theory study of the rhodopsin chromophore.
Authors: Molteni, C.; Frank, I.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 1999
Title of Journal: Journal of the American Chemical Society
Volume: 121
Start Page: 12177
End Page: 12183
Document Type: Article
ID: 181674.0
First-principles molecular dynamics study of a photochromic molecular crystal.
Authors: Frank, I.; Marx, D.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 1999
Title of Journal: Journal of Physical Chemistry A
Volume: 103
Start Page: 7341
End Page: 7344
Document Type: Article
ID: 180687.0
Insight into chemical reactions from first-principles simulations: the mechanism of the gas-phase reaction of OH radicals with ketones.
Authors: Frank, I.; Parrinello, M.; Klamt, A.
Date of Publication (YYYY-MM-DD): 1998
Title of Journal: Journal of Physical Chemistry A
Volume: 102
Start Page: 3614
End Page: 3617
Document Type: Article
ID: 182119.0
Molecular dynamics in low-spin excited states.
Authors: Frank, I.; Hutter, J.; Marx, D.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 1998
Title of Journal: Journal of Chemical Physics
Volume: 108
Start Page: 4060
End Page: 4069
Document Type: Article
ID: 182117.0
Entries: 1-6  
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