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Nenov, Artur
189  Ergebnisse:
Personensuche X
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1

Reconciling TD‐DFT and CASPT2 electronic structure methods ..:

Jaiswal, Vishal Kumar ; Taddei, Mario ; Nascimento, Daniel R....
Photochemistry and Photobiology.  100 (2024)  2 - p. 443-452 , 2024
Link: https://doi.org/10.1111/..
 
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2

Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quant..:

Segatta, Francesco ; Aranda, Daniel ; Aleotti, Flavia...
Journal of Chemical Theory and Computation.  20 (2023)  1 - p. 307-322 , 2023
Link: https://doi.org/10.1021/..
 
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3

Double Thionated Pyrimidine Nucleobases: Molecular Tools wi..:

Mohamadzade, Abed ; Nenov, Artur ; Garavelli, Marco..
Journal of the American Chemical Society.  145 (2023)  22 - p. 11945-11958 , 2023
Link: https://doi.org/10.1021/..
 
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4

Nonlinear Molecular Electronic Spectroscopy via MCTDH Quant..:

Segatta, Francesco ; Ruiz, Daniel Aranda ; Aleotti, Flavia...
Journal of Chemical Theory and Computation.  19 (2023)  7 - p. 2075-2091 , 2023
Link: https://doi.org/10.1021/..
 
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5

Modus Operandi of a Pedalo-Type Molecular Switch: Insight f..:

Taddei, Mario ; Garavelli, Marco ; Amirjalayer, Saeed..
Molecules.  28 (2023)  2 - p. 816 , 2023
Link: https://doi.org/10.3390/..
 
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6

Soft X-ray Spectroscopy Simulations with Multiconfiguration..:

Montorsi, Francesco ; Segatta, Francesco ; Nenov, Artur..
Journal of Chemical Theory and Computation.  18 (2022)  2 - p. 1003-1016 , 2022
Link: https://doi.org/10.1021/..
 
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7

Coupled Electronic and Nuclear Motions during Azobenzene Ph..:

Rouxel, Jérémy R. ; Keefer, Daniel ; Aleotti, Flavia...
Journal of Chemical Theory and Computation.  18 (2022)  2 - p. 605-613 , 2022
Link: https://doi.org/10.1021/..
 
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8

Automatized protocol and interface to simulate QM/MM time‐r..:

Avagliano, Davide ; Bonfanti, Matteo ; Nenov, Artur.
Journal of Computational Chemistry.  43 (2022)  24 - p. 1641-1655 , 2022
Link: https://doi.org/10.1002/..
 
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9

Coherent vibrational modes promote the ultrafast internal c..:

Teles-Ferreira, Danielle Cristina ; van Stokkum, Ivo HM ; Conti, Irene...
Physical Chemistry Chemical Physics.  24 (2022)  36 - p. 21750-21758 , 2022
Link: https://doi.org/10.1039/..
 
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10

Time-Resolved Optical Pump-Resonant X-ray Probe Spectroscop..:

Nam, Yeonsig ; Montorsi, Francesco ; Keefer, Daniel...
Journal of Chemical Theory and Computation.  18 (2022)  5 - p. 3075-3088 , 2022
Link: https://doi.org/10.1021/..
 
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11

Environment-Driven Coherent Population Transfer Governs the..:

Jaiswal, Vishal Kumar ; Kabaciński, Piotr ; Nogueira de Faria, Barbara E....
Journal of the American Chemical Society.  144 (2022)  28 - p. 12884-12892 , 2022
Link: https://doi.org/10.1021/..
 
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12

iSPECTRON: A simulation interface for linear and nonlinear ..:

Segatta, Francesco ; Nenov, Artur ; Nascimento, Daniel R....
Journal of Computational Chemistry.  42 (2021)  9 - p. 644-659 , 2021
Link: https://doi.org/10.1002/..
 
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13

Imaging conical intersection dynamics during azobenzene pho..:

Keefer, Daniel ; Aleotti, Flavia ; Rouxel, Jérémy R....
Proceedings of the National Academy of Sciences.  118 (2021)  3 - p. , 2021
Link: https://doi.org/10.1073/..
 
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14

Tracking excited state decay mechanisms of pyrimidine nucle..:

Borrego-Varillas, Rocío ; Nenov, Artur ; Kabaciński, Piotr...
Nature Communications.  12 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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15

Manipulating Core Excitations in Molecules by X-Ray Cavitie:

Gu, Bing ; Nenov, Artur ; Segatta, Francesco..
Physical Review Letters.  126 (2021)  5 - p. , 2021
Link: https://doi.org/10.1103/..
 
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