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Theoretical and Computational Chemistry

Working Paper

Deriving the Vibronic Coupling Constants of the Cyclopentadienyl Radical with Density Functional Theory and G0W0

Zi Cheng Wong, Liviu Ungur

Version 1 posted 24 July 2020

405

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Physical Chemistry

Working Paper

High Resolution Photoelectron Spectroscopy of Cryogenically-Cooled NO3ˉ

Mark Babin, Jessalyn DeVine, John F. Stanton, Daniel Neumark, Martin DeWitt

Version 1 posted 21 October 2019

304

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Inorganic Chemistry

Working Paper

Analysis of vibronic coupling in a 4f molecular magnet with FIRMS

Jon G. C. Kragskow, Jonathan Marbey, Christian Dirk Buch, Joscha Nehrkorn, Mykhaylo Ozerov, Stergios Piligkos, Stephen Hill, Nicholas Chilton

Version 2 posted 13 December 2021

1,212

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Physical Chemistry

Working Paper

Dynamics and Spectroscopy of Molecular Ensembles in a Lossy Microcavity

Inga Ulusoy, Oriol Vendrell

Version 2 posted 03 July 2020

493

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Physical Chemistry

Working Paper

Directed evolution of a bright variant of mCherry: Suppression of non-radiative decay by fluorescence lifetime selections

Srijit Mukherjee, Premashis Manna, Sheng-Ting Hung, Felix Vietmeyer, Pia Friis, Amy Palmer, Ralph Jimenez

Version 1 posted 16 March 2022

1,427

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1

Citations

Theoretical and Computational Chemistry

Working Paper

An analytic linear vibronic coupling method for first-principles spin-dynamics calculations in single-molecule magnets

Jakob Staab, Nicholas Chilton

Version 1 posted 16 June 2022

366

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Physical Chemistry

Working Paper

Theoretical Determination of Rate Constants from Excited-States: Application to Benzophenone

Katsuyuki Shizu, Hironori Kaji

Version 1 posted 24 May 2021

1,271

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Theoretical and Computational Chemistry

Working Paper

Intersystem Crossing as Vibronically-Induced Phonon Emission and Absorption Processes: A Unified View of Nonradiative Transitions in a Molecule

Wataru Ota, Motoyuki Uejima, Naoki Haruta, Tohru Sato

Version 1 posted 04 October 2023

134

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Theoretical and Computational Chemistry

Working Paper

Computational Investigations of the Detailed Mechanism of Reverse Intersystem Crossing in Inverted Singlet-Triplet Gap Molecules

Danillo Valverde, Cher Tian Ser, Gaetano Ricci, Kjell Jorner, Robert Pollice, Alan Aspuru-Guzik, Yoann Olivier

Version 1 posted 15 March 2024

495

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9 results in Vibronic coupling in Keywords: Vibronic coupling

Deriving the Vibronic Coupling Constants of the Cyclopentadienyl Radical with Density Functional Theory and G0W0

High Resolution Photoelectron Spectroscopy of Cryogenically-Cooled NO3ˉ

Analysis of vibronic coupling in a 4f molecular magnet with FIRMS

Dynamics and Spectroscopy of Molecular Ensembles in a Lossy Microcavity

Directed evolution of a bright variant of mCherry: Suppression of non-radiative decay by fluorescence lifetime selections

An analytic linear vibronic coupling method for first-principles spin-dynamics calculations in single-molecule magnets

Theoretical Determination of Rate Constants from Excited-States: Application to Benzophenone

Intersystem Crossing as Vibronically-Induced Phonon Emission and Absorption Processes: A Unified View of Nonradiative Transitions in a Molecule

Computational Investigations of the Detailed Mechanism of Reverse Intersystem Crossing in Inverted Singlet-Triplet Gap Molecules

9 results in Keywords: Vibronic coupling