Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories

Meseret Simachew Bezabih; Danil S. Kaliakin; Alejandro Blanco-González; Leonardo Barneschi; Alexander N. Tarnovsky; Massimo Olivucci

doi:10.1021/acs.jpcb.3c06433

Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories

Meseret Simachew Bezabih
, Danil S. Kaliakin
, Alejandro Blanco-González
, Leonardo Barneschi
, Alexander N. Tarnovsky
, Massimo Olivucci

Department of Chemistry

Bowling Green State University
Università di Siena

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	10871-10879
Number of pages	9
Journal	Journal of Physical Chemistry B
Volume	127
Issue number	50
DOIs	https://doi.org/10.1021/acs.jpcb.3c06433
State	Published - Dec 21 2023

ASJC Scopus Subject Areas

Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry

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10.1021/acs.jpcb.3c06433

Cite this

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title = "Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories",

author = "Bezabih, \{Meseret Simachew\} and Kaliakin, \{Danil S.\} and Alejandro Blanco-Gonz{\'a}lez and Leonardo Barneschi and Tarnovsky, \{Alexander N.\} and Massimo Olivucci",

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doi = "10.1021/acs.jpcb.3c06433",

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AU - Bezabih, Meseret Simachew

AU - Kaliakin, Danil S.

AU - Blanco-González, Alejandro

AU - Barneschi, Leonardo

AU - Tarnovsky, Alexander N.

AU - Olivucci, Massimo

PY - 2023/12/21

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UR - https://www.scopus.com/pages/publications/85180096914

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JO - Journal of Physical Chemistry B

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IS - 50

ER -

Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories

ASJC Scopus Subject Areas

Access to Document

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