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PubPharm (339)
1
Comparative Quantum-Classical Dynamics of Natural and Synthetic Molecular Rotors Show How Vibrational Synchronization Modulates the Photoisomerization Quantum Efficiency
enthalten in:
chemRxiv.org
| 2024
von
Blanco-Gonzalez, A.
|
Manathunga, M.
|
Yang, X.
| +1
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2
Comparative quantum-classical dynamics of natural and synthetic molecular rotors show how vibrational synchronization modulates the photoisomerization quantum efficiency
enthalten in:
Nature communications
| 2024
von
Blanco-Gonzalez, A.
|
Manathunga, M.
|
Yang, X.
| +1
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3
Picosecond quantum-classical dynamics reveals that the coexistence of light-induced microbial and animal chromophore rotary motion modulates the isomerization quantum yield of heliorhodopsin
enthalten in:
Physical chemistry chemical physics : PCCP
| 2024
von
Palombo, R.
|
Barneschi, L.
|
Pedraza-González, L.
| +2
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4
Resonant multiphoton processes and excitation limits to structural dynamics
enthalten in:
Structural dynamics (Melville, N.Y.)
| 2024
von
Francis, W.
|
Grewal, H.
|
Wainwright, A.
| +3
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5
Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories
enthalten in:
The journal of physical chemistry. B
| 2023
von
Bezabih, M.
|
Kaliakin, D.
|
Blanco-González, A.
| +3
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6
Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models : XMS-CASPT2, RMS-CASPT2, and REKS Methods
enthalten in:
Journal of chemical theory and computation
| 2023
von
Barneschi, L.
|
Kaliakin, D.
|
Huix-Rotllant, M.
| +3
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7
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
enthalten in:
chemRxiv.org
| 2023
von
Li Manni, G.
|
Fernández Galván, I.
|
Alavi, A.
| +105
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8
Automatic Rhodopsin Modeling with Multiple Protonation Microstates
enthalten in:
The journal of physical chemistry. A
| 2023
von
Cárdenas, G.
|
Ledentu, V.
|
Huix-Rotllant, M.
| +2
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9
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry
enthalten in:
Journal of chemical theory and computation
| 2023
von
Li Manni, G.
|
Fdez Galván, I.
|
Alavi, A.
| +98
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10
Experimental Assessment of the Electronic and Geometrical Structure of a Near-Infrared Absorbing and Highly Fluorescent Microbial Rhodopsin
enthalten in:
The journal of physical chemistry letters
| 2023
von
Broser, M.
|
Andruniów, T.
|
Kraskov, A.
| +9
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Thema
142
Journal Article
68
Research Support, Non-U.S. Gov't
48
Rhodopsin
44
9009-81-8
21
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17
RR725D715M
17
Retinaldehyde
16
Schiff Bases
11
Chemistry
7
540
7
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6
Bacterial Proteins
6
Green Fluorescent Proteins
6
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6
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5
147336-22-9
5
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5
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4
28350-87-0
4
8DUH1N11BX
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2000-
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