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Journal of Chemical Theory and Computation
|
February 2, 2021
Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods
Daniil A Fedotov, Alexander C Paul, Paolo Posocco, et al.
The Journal of Physical Chemistry. A
|
December 12, 2023
Electronic Characterization of Glycolaldehyde: Experimental and Theoretical Insights from the Core- and Valence-Level Spectroscopy
Sarai Dery Folkestad, Alexander C Paul, Aurora Ponzi, et al.
Journal of Chemical Theory and Computation
|
October 8, 2021
Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory
Edward G Hohenstein, Jimmy K Yu, Christoph Bannwarth, et al.
The Journal of Physical Chemistry Letters
|
March 27, 2025
Symmetry Breaking around Aqueous Ammonia Revealed in Nitrogen K-edge X-ray Absorption
Michael Odelius, Sarai Dery Folkestad, Thanit Saisopa, et al.
Nature Communications
|
November 23, 2024
Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory
Eirik F Kjønstad, O Jonathan Fajen, Alexander C Paul, et al.
Nature Physics
|
January 23, 2025
Electronic dynamics created at conical intersections and its dephasing in aqueous solution
Yi-Ping Chang, Tadas Balciunas, Zhong Yin, et al.
The Journal of Chemical Physics
|
May 17, 2020
e<sup>T</sup> 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
Sarai D Folkestad, Eirik F Kjønstad, Rolf H Myhre, et al.
Faraday Discussions
|
February 10, 2021
Transient resonant Auger-Meitner spectra of photoexcited thymine
Thomas J A Wolf, Alexander C Paul, Sarai D Folkestad, et al.
The Journal of Chemical Physics
|
April 6, 2026
e T 2.0: An efficient open-source molecular electronic structure program
Sarai Dery Folkestad, Eirik F Kjønstad, Alexander C Paul, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
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Showing results (11-20 of 20) with videos related to
Sort By:
Page
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You have reached the last page of results.
This site can display upto 20 results.
Journal of Chemical Theory and Computation
|
February 2, 2021
Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods
Daniil A Fedotov, Alexander C Paul, Paolo Posocco, et al.
The Journal of Physical Chemistry. A
|
December 12, 2023
Electronic Characterization of Glycolaldehyde: Experimental and Theoretical Insights from the Core- and Valence-Level Spectroscopy
Sarai Dery Folkestad, Alexander C Paul, Aurora Ponzi, et al.
Journal of Chemical Theory and Computation
|
October 8, 2021
Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory
Edward G Hohenstein, Jimmy K Yu, Christoph Bannwarth, et al.
The Journal of Physical Chemistry Letters
|
March 27, 2025
Symmetry Breaking around Aqueous Ammonia Revealed in Nitrogen K-edge X-ray Absorption
Michael Odelius, Sarai Dery Folkestad, Thanit Saisopa, et al.
Nature Communications
|
November 23, 2024
Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory
Eirik F Kjønstad, O Jonathan Fajen, Alexander C Paul, et al.
Nature Physics
|
January 23, 2025
Electronic dynamics created at conical intersections and its dephasing in aqueous solution
Yi-Ping Chang, Tadas Balciunas, Zhong Yin, et al.
The Journal of Chemical Physics
|
May 17, 2020
e<sup>T</sup> 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
Sarai D Folkestad, Eirik F Kjønstad, Rolf H Myhre, et al.
Faraday Discussions
|
February 10, 2021
Transient resonant Auger-Meitner spectra of photoexcited thymine
Thomas J A Wolf, Alexander C Paul, Sarai D Folkestad, et al.
The Journal of Chemical Physics
|
April 6, 2026
e T 2.0: An efficient open-source molecular electronic structure program
Sarai Dery Folkestad, Eirik F Kjønstad, Alexander C Paul, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
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of 2