Relaxation Dynamics of the Triazene Compound Berenil in DNA-Minor-Groove Confinement after Photoexcitation
Marefat Khah, Alireza, Reinholdt, Peter
, Nuernberger, Patrick , Kongsted, Jacob and Hättig, Christof
(2020)
Relaxation Dynamics of the Triazene Compound Berenil in DNA-Minor-Groove Confinement after Photoexcitation.
Journal of Chemical Theory and Computation 16 (8), pp. 5203-5211.
Date of publication of this fulltext: 19 Mar 2021 05:51
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| Item type | Article | ||||
| Journal or Publication Title | Journal of Chemical Theory and Computation | ||||
| Publisher: | AMER CHEMICAL SOC | ||||
|---|---|---|---|---|---|
| Place of Publication: | WASHINGTON | ||||
| Volume: | 16 | ||||
| Number of Issue or Book Chapter: | 8 | ||||
| Page Range: | pp. 5203-5211 | ||||
| Date | 2020 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Physical Chemistry I Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Physical Chemistry I > Prof. Dr. Patrick Nürnberger | ||||
| Identification Number |
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| Keywords | GAUSSIAN-BASIS SETS; ULTRAFAST DYNAMICS; SIMULATION; WATER; PHOTOISOMERIZATION; ISOMERIZATION; AZOBENZENE; APPROXIMATION; CHROMOPHORE; RESOLUTION; | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Partially | ||||
| Item ID | 45250 |
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