Search

Physical Chemistry

Working Paper

Vibronic Coupling Effects in the Photoelectron Spectrum of Ozone: A Coupled-Cluster Approach

Paweł Wójcik, Hanna Reisler, Péter Szalay, Anna Krylov, John Stanton

Version 2 posted 05 November 2024

141

Downloads

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

176

Downloads

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

1,279

Downloads

Physical Chemistry

Working Paper

Dynamics and Spectroscopy of Molecular Ensembles in a Lossy Microcavity

Inga Ulusoy, Oriol Vendrell

Version 2 posted 03 July 2020

516

Downloads

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

1,528

Downloads

1

Citations

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

320

Downloads

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

1,451

Downloads

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

450

Downloads

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

412

Downloads

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

633

Downloads

Refine Search

11 results in Vibronic Coupling in Keywords: Vibronic Coupling

Vibronic Coupling Effects in the Photoelectron Spectrum of Ozone: A Coupled-Cluster Approach

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

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

High Resolution Photoelectron Spectroscopy of Cryogenically-Cooled NO3ˉ

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

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

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

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

11 results in Keywords: Vibronic Coupling