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Journal Articles

Calculating absorption and fluorescence spectra for chromophores in solution with ensemble Franck–Condon methods

Ajay Khanna, Sapana V. Shedge, Tim J. Zuehlsdorff, Christine M. Isborn

J. Chem. Phys. 161, 044121 (2024)

https://doi.org/10.1063/5.0217080

Published: July 2024

View article titled, Calculating absorption and fluorescence spectra for chromophores in solution with ensemble Franck–Condon methods

Journal Articles

Theoretical study of short-range exchange interaction based on semiconductor dielectric function model toward time-dependent dielectric density functional theory

Tomomi Shimazaki, Masanori Tachikawa

J. Chem. Phys. 161, 014107 (2024)

https://doi.org/10.1063/5.0207751

Published: July 2024

View article titled, Theoretical study of short-range exchange interaction based on semiconductor dielectric function model toward time-dependent dielectric density functional theory

Journal Articles

Taming the third order cumulant approximation to linear optical spectroscopy

Lucas Allan, Tim J. Zuehlsdorff

J. Chem. Phys. 160, 074108 (2024)

https://doi.org/10.1063/5.0182745

Published: February 2024

View article titled, Taming the third order cumulant approximation to linear optical spectroscopy

Includes: Supplementary data

Journal Articles

Metal-free carbazole–thiophene photosensitizers designed for a dye-sensitized H₂-evolving photocatalyst in Z-scheme water splitting

Akinobu Nakada, Takayuki Yokota, Morihiko Ogura, Ninghui Chang, Osamu Tomita, Akinori Saeki, Masamichi Ogasawara, Ryu Abe

J. Chem. Phys. 160, 044710 (2024)

https://doi.org/10.1063/5.0179225

Published: January 2024

View article titled, Metal-free carbazole–thiophene photosensitizers designed for a dye-sensitized H<sub>2</sub>-evolving photocatalyst in Z-scheme water splitting

Includes: Supplementary data

Journal Articles

Multimode vibrational dynamics and orientational effects in fluorescence-encoded infrared spectroscopy. II. Analysis of early-time signals

Lukas Whaley-Mayda, Abhirup Guha, Andrei Tokmakoff

J. Chem. Phys. 159, 194202 (2023)

https://doi.org/10.1063/5.0171946

Published: November 2023

View article titled, Multimode vibrational dynamics and orientational effects in fluorescence-encoded infrared spectroscopy. II. Analysis of early-time signals

Includes: Supplementary data

Journal Articles

Vibrationally resolved two-photon electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy with two-photon excitation

Maximiliane Horz, Hafiz M. A. Masood, Hendrik Brunst, Javier Cerezo, David Picconi, Hannah Vormann, Madhava Shyam Niraghatam, Luuk J. G. W. van Wilderen, Jens Bredenbeck, Fabrizio Santoro, Irene Burghardt

J. Chem. Phys. 158, 064201 (2023)

https://doi.org/10.1063/5.0132608

Published: February 2023

View article titled, Vibrationally resolved two-photon electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy with two-photon excitation

Includes: Supplementary data

Journal Articles

Assessing rotation and solvation dynamics in ethaline deep eutectic solvent and its solutions with methanol

Mary M. LaRocca, Gary A. Baker, Mark P. Heitz

J. Chem. Phys. 155, 034505 (2021)

https://doi.org/10.1063/5.0056653

Published: July 2021

View article titled, Assessing rotation and solvation dynamics in ethaline deep eutectic solvent and its solutions with methanol

Includes: Supplementary data

Journal Articles

Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function

Alexander Humeniuk, Margarita Bužančić, Joscha Hoche, Javier Cerezo, Roland Mitrić, Fabrizio Santoro, Vlasta Bonačić-Koutecký

J. Chem. Phys. 152, 054107 (2020)

https://doi.org/10.1063/1.5143212

Published: February 2020

View article titled, Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function

Includes: Supplementary data

Journal Articles

Dynamics at the non-ionic micelle/water interface: Impact of linkage substitution

Ejaj Tarif, Kallol Mukherjee, Kajal Kumbhakar, Anjan Barman, Ranjit Biswas

J. Chem. Phys. 151, 154902 (2019)

https://doi.org/10.1063/1.5121334

Published: October 2019

View article titled, Dynamics at the non-ionic micelle/water interface: Impact of linkage substitution

Includes: Supplementary data

Journal Articles

Surface solvation and hindered isomerization at the water/silica interface explored with second harmonic generation

Grace E. Purnell, Robert A. Walker

J. Chem. Phys. 150, 194701 (2019)

https://doi.org/10.1063/1.5066451

Published: May 2019

View article titled, Surface solvation and hindered isomerization at the water/silica interface explored with second harmonic generation

Journal Articles

Molecular rotation in 3 dimensions at an air/water interface using femtosecond time resolved sum frequency generation

Yi Rao, Yuqin Qian, Gang-Hua Deng, Ashlie Kinross, Nicholas J. Turro, Kenneth B. Eisenthal

J. Chem. Phys. 150, 094709 (2019)

https://doi.org/10.1063/1.5080228

Published: March 2019

View article titled, Molecular rotation in 3 dimensions at an air/water interface using femtosecond time resolved sum frequency generation

Includes: Supplementary data

Journal Articles

Rotation and translation dynamics of coumarin 153 in choline chloride-based deep eutectic solvents

Adam H. Turner, Doseok Kim

J. Chem. Phys. 149, 174503 (2018)

https://doi.org/10.1063/1.5038067

Published: November 2018

View article titled, Rotation and translation dynamics of coumarin 153 in choline chloride-based deep eutectic solvents

Includes: Supplementary data

Journal Articles

Local environment of organic dyes in an ionic liquid-water mixture: FCS and MD simulation

Somen Nandi, Sridip Parui, Biman Jana, Kankan Bhattacharyya

J. Chem. Phys. 149, 054501 (2018)

https://doi.org/10.1063/1.5027458

Published: August 2018

View article titled, Local environment of organic dyes in an ionic liquid-water mixture: FCS and MD simulation

Includes: Supplementary data

Journal Articles

Aqueous solvation from the water perspective

Saima Ahmed, Andrea Pasti, Ricardo J. Fernández-Terán, Gustavo Ciardi, Andrey Shalit, Peter Hamm

J. Chem. Phys. 148, 234505 (2018)

https://doi.org/10.1063/1.5034225

Published: June 2018

View article titled, Aqueous solvation from the water perspective

Includes: Supplementary data

Journal Articles

Solvent controlled intramolecular electron transfer in mixtures of 1-butyl-3-methylimidizolium tetrafluoroborate and acetonitrile

Christopher A. Rumble, Mark Maroncelli

J. Chem. Phys. 148, 193801 (2018)

https://doi.org/10.1063/1.5000727

Published: January 2018

View article titled, Solvent controlled intramolecular electron transfer in mixtures of 1-butyl-3-methylimidizolium tetrafluoroborate and acetonitrile

Includes: Supplementary data

Journal Articles

The influence of mesoscopic confinement on the dynamics of imidazolium-based room temperature ionic liquids in polyether sulfone membranes

Joseph E. Thomaz, Heather E. Bailey, Michael D. Fayer

J. Chem. Phys. 147, 194502 (2017)

https://doi.org/10.1063/1.5003036

Published: November 2017

View article titled, The influence of mesoscopic confinement on the dynamics of imidazolium-based room temperature ionic liquids in polyether sulfone membranes

Includes: Supplementary data

Journal Articles

Vibrationally resolved electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy

Jan von Cosel, Javier Cerezo, Daniela Kern-Michler, Carsten Neumann, Luuk J. G. W. van Wilderen, Jens Bredenbeck, Fabrizio Santoro, Irene Burghardt

J. Chem. Phys. 147, 164116 (2017)

https://doi.org/10.1063/1.4999455

Published: October 2017

View article titled, Vibrationally resolved electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy

Includes: Supplementary data

Journal Articles

How good is the generalized Langevin equation to describe the dynamics of photo-induced electron transfer in fluid solution?

Gonzalo Angulo, Jakub Jedrak, Anna Ochab-Marcinek, Pakorn Pasitsuparoad, Czesław Radzewicz, Paweł Wnuk, Arnulf Rosspeintner

J. Chem. Phys. 146, 244505 (2017)

https://doi.org/10.1063/1.4990044

Published: June 2017

View article titled, How good is the generalized Langevin equation to describe the dynamics of photo-induced electron transfer in fluid solution?

Includes: Supplementary data

Journal Articles

Comment on “A spherical cavity model for quadrupolar dielectrics” [J. Chem. Phys. 144, 114502 (2016)]

Iglika M. Dimitrova, Radomir I. Slavchov, Tzanko Ivanov, Sebastian Mosbach

J. Chem. Phys. 146, 187101 (2017)

https://doi.org/10.1063/1.4979717

Published: May 2017

View article titled, Comment on “A spherical cavity model for quadrupolar dielectrics” [J. Chem. Phys. 144, 114502 (2016)]

Includes: Supplementary data

Journal Articles

Solvent organization around the perfluoro group of coumarin 153 governs its photophysical properties: An experimental and simulation study of coumarin dyes in ethanol as well as fluorinated ethanol solvents

Saptarsi Mondal, Ritaban Halder, Biswajit Biswas, Biman Jana, Prashant Chandra Singh

J. Chem. Phys. 144, 184504 (2016)

https://doi.org/10.1063/1.4948704

Published: May 2016

View article titled, Solvent organization around the perfluoro group of coumarin 153 governs its photophysical properties: An experimental and simulation study of coumarin dyes in ethanol as well as fluorinated ethanol solvents

Includes: Supplementary data

NARROW

Topics

Calculating absorption and fluorescence spectra for chromophores in solution with ensemble Franck–Condon methods

Theoretical study of short-range exchange interaction based on semiconductor dielectric function model toward time-dependent dielectric density functional theory

Taming the third order cumulant approximation to linear optical spectroscopy

Metal-free carbazole–thiophene photosensitizers designed for a dye-sensitized H₂-evolving photocatalyst in Z-scheme water splitting

Multimode vibrational dynamics and orientational effects in fluorescence-encoded infrared spectroscopy. II. Analysis of early-time signals

Vibrationally resolved two-photon electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy with two-photon excitation

Assessing rotation and solvation dynamics in ethaline deep eutectic solvent and its solutions with methanol

Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function

Dynamics at the non-ionic micelle/water interface: Impact of linkage substitution

Surface solvation and hindered isomerization at the water/silica interface explored with second harmonic generation

Molecular rotation in 3 dimensions at an air/water interface using femtosecond time resolved sum frequency generation

Rotation and translation dynamics of coumarin 153 in choline chloride-based deep eutectic solvents

Local environment of organic dyes in an ionic liquid-water mixture: FCS and MD simulation

Aqueous solvation from the water perspective

Solvent controlled intramolecular electron transfer in mixtures of 1-butyl-3-methylimidizolium tetrafluoroborate and acetonitrile

The influence of mesoscopic confinement on the dynamics of imidazolium-based room temperature ionic liquids in polyether sulfone membranes

Vibrationally resolved electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy

How good is the generalized Langevin equation to describe the dynamics of photo-induced electron transfer in fluid solution?

Comment on “A spherical cavity model for quadrupolar dielectrics” [J. Chem. Phys. 144, 114502 (2016)]

Solvent organization around the perfluoro group of coumarin 153 governs its photophysical properties: An experimental and simulation study of coumarin dyes in ethanol as well as fluorinated ethanol solvents

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