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Journal Articles

Beyond the Condon limit: Condensed phase optical spectra from atomistic simulations

Zachary R. Wiethorn, Kye E. Hunter, Tim J. Zuehlsdorff, Andrés Montoya-Castillo

J. Chem. Phys. 159, 244114 (2023)

https://doi.org/10.1063/5.0180405

Published: December 2023

View articletitled, Beyond the Condon limit: Condensed phase optical spectra from atomistic simulations

Includes: Supplementary data

Journal Articles

Photon energy dependence of the photoelectron spectra of the anthracene anion: On the influence of autodetaching states

A. Jalehdoost, B. von Issendorff

J. Chem. Phys. 158, 194302 (2023)

https://doi.org/10.1063/5.0145038

Published: May 2023

View articletitled, Photon energy dependence of the photoelectron spectra of the anthracene anion: On the influence of autodetaching states

Includes: Supplementary data

Journal Articles

Vibrational response functions for multidimensional electronic spectroscopy in the adiabatic regime: A coherent-state approach

Frank Ernesto Quintela Rodriguez, Filippo Troiani

J. Chem. Phys. 157, 034107 (2022)

https://doi.org/10.1063/5.0094512

Published: July 2022

View articletitled, Vibrational response functions for multidimensional electronic spectroscopy in the adiabatic regime: A coherent-state approach

Journal Articles

All-experimental analysis of doubly resonant sum-frequency generation spectra for Franck–Condon and Herzberg–Teller vibronic modes

Bertrand Busson

J. Chem. Phys. 156, 204704 (2022)

https://doi.org/10.1063/5.0091374

Published: May 2022

View articletitled, All-experimental analysis of doubly resonant sum-frequency generation spectra for Franck–Condon and Herzberg–Teller vibronic modes

Journal Articles

Reflections on electron transfer theory

Rudolph A. Marcus

J. Chem. Phys. 153, 210401 (2020)

https://doi.org/10.1063/5.0035434

Published: December 2020

View articletitled, Reflections on electron transfer theory

Journal Articles

Theory of molecular emission power spectra. I. Macroscopic quantum electrodynamics formalism

Siwei Wang, Ming-Wei Lee, Yi-Ting Chuang, Gregory D. Scholes, Liang-Yan Hsu

J. Chem. Phys. 153, 184102 (2020)

https://doi.org/10.1063/5.0027796

Published: November 2020

View articletitled, Theory of molecular emission power spectra. I. Macroscopic quantum electrodynamics formalism

Journal Articles

On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra

Tomislav Begušić, Julien Roulet, Jiří Vaníček

J. Chem. Phys. 149, 244115 (2018)

https://doi.org/10.1063/1.5054586

Published: December 2018

View articletitled, On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra

Includes: Supplementary data

Journal Articles

A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene

Michael H. Palmer, Marcello Coreno, Monica de Simone, Søren Vrønning Hoffmann, Nykola C. Jones, Cesare Grazioli, Kirk A. Peterson, Alberto Baiardi, Teng Zhang, Malgorzata Biczysko

J. Chem. Phys. 146, 084302 (2017)

https://doi.org/10.1063/1.4975672

Published: February 2017

View articletitled, A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene

Includes: Supplementary data

Journal Articles

High-resolution photoelectron spectra of the pyrimidine-type nucleobases

K. D. Fulfer, D. Hardy, A. A. Aguilar, E. D. Poliakoff

J. Chem. Phys. 142, 224310 (2015)

https://doi.org/10.1063/1.4922310

Published: June 2015

View articletitled, High-resolution photoelectron spectra of the pyrimidine-type nucleobases

Journal Articles

Ground and excited states of zinc phthalocyanine, zinc tetrabenzoporphyrin, and azaporphyrin analogs using DFT and TDDFT with Franck-Condon analysis

Rebekah F. Theisen, Liang Huang, Tyler Fleetham, James B. Adams, Jian Li

J. Chem. Phys. 142, 094310 (2015)

https://doi.org/10.1063/1.4913757

Published: March 2015

View articletitled, Ground and excited states of zinc phthalocyanine, zinc tetrabenzoporphyrin, and azaporphyrin analogs using DFT and TDDFT with Franck-Condon analysis

Includes: Supplementary data

Journal Articles

Simulation of the single-vibronic-level emission spectrum of HPS

Daniel K. W. Mok, Edmond P. F. Lee, Foo-tim Chau, John M. Dyke

J. Chem. Phys. 140, 194311 (2014)

https://doi.org/10.1063/1.4875806

Published: May 2014

View articletitled, Simulation of the single-vibronic-level emission spectrum of HPS

Includes: Supplementary data

Journal Articles

Mass-resolved two-photon and photoelectron spectra of ArXe in the region of Xe^* 7p, 6p′, 6d

L. P. Rakcheeva, P. Yu. Serdobintsev, A. A. Belyaeva, I. A. Shevkunov, A. S. Melnikov, A. A. Nakozina, A. A. Pastor, M. A. Khodorkovskii

J. Chem. Phys. 139, 174304 (2013)

https://doi.org/10.1063/1.4827476

Published: November 2013

View articletitled, Mass-resolved two-photon and photoelectron spectra of ArXe in the region of Xe* 7p, 6p′, 6d

Includes: Supplementary data

Journal Articles

Radiative charge transfer in He⁺ + H₂ collisions in the milli- to nano-electron-volt range: A theoretical study within state-to-state and optical potential approaches

Felicja Mrugała, Wolfgang P. Kraemer

J. Chem. Phys. 138, 104315 (2013)

https://doi.org/10.1063/1.4793986

Published: March 2013

View articletitled, Radiative charge transfer in He+ + H2 collisions in the milli- to nano-electron-volt range: A theoretical study within state-to-state and optical potential approaches

Includes: Supplementary data

Journal Articles

The $X^{1}\Sigma ^{+}_{g}$ X 1 Σ g + ground state of Mg₂ studied by Fourier-transform spectroscopy

H. Knöckel, S. Rühmann, E. Tiemann

J. Chem. Phys. 138, 094303 (2013)

https://doi.org/10.1063/1.4792725

Published: March 2013

View articletitled, The $X^{1}\Sigma ^{+}_{g}$ X 1 Σ g + ground state of Mg2 studied by Fourier-transform spectroscopy

Journal Articles

Note: Photoelectron spectroscopy of cold UF₅⁻

Phuong Diem Dau, Hong-Tao Liu, Dao-Ling Huang, Lai-Sheng Wang

J. Chem. Phys. 137, 116101 (2012)

https://doi.org/10.1063/1.4753421

Published: September 2012

View articletitled, Note: Photoelectron spectroscopy of cold UF5−

Journal Articles

A comprehensive study of the vibrationally resolved S 2p⁻¹ Auger electron spectrum of carbonyl sulfide

V. Sekushin, R. Püttner, R. F. Fink, M. Martins, Y. H. Jiang, H. Aksela, S. Aksela, G. Kaindl

J. Chem. Phys. 137, 044310 (2012)

https://doi.org/10.1063/1.4734310

Published: July 2012

View articletitled, A comprehensive study of the vibrationally resolved S 2p−1 Auger electron spectrum of carbonyl sulfide

Includes: Supplementary data

Journal Articles

Probing the structures and chemical bonding of boron-boronyl clusters using photoelectron spectroscopy and computational chemistry: B₄(BO)_n⁻ (n = 1–3)

Qiang Chen, Hua-Jin Zhai, Si-Dian Li, Lai-Sheng Wang

J. Chem. Phys. 137, 044307 (2012)

https://doi.org/10.1063/1.4737863

Published: July 2012

View articletitled, Probing the structures and chemical bonding of boron-boronyl clusters using photoelectron spectroscopy and computational chemistry: B4(BO)n− (n = 1–3)

Includes: Supplementary data

Journal Articles

Photoelectron spectroscopy of the molecular anions, ZrO⁻, HfO⁻, HfHO⁻, and HfO₂H⁻

Xiang Li, Weijun Zheng, Angela Buonaugurio, Allyson Buytendyk, Kit Bowen, Krishnan Balasubramanian

J. Chem. Phys. 136, 154306 (2012)

https://doi.org/10.1063/1.4704127

Published: April 2012

View articletitled, Photoelectron spectroscopy of the molecular anions, ZrO−, HfO−, HfHO−, and HfO2H−

Includes: Supplementary data

Journal Articles

The role of C-H and C-C stretching modes in the intrinsic non-radiative decay of triplet states in a Pt-containing conjugated phenylene ethynylene

Anna Köhler, Amena L. T. Khan, Joanne S. Wilson, Carsten Dosche, Mohammed K. Al-Suti, Hakikulla H. Shah, Muhammad S. Khan

J. Chem. Phys. 136, 094905 (2012)

https://doi.org/10.1063/1.3691105

Published: March 2012

View articletitled, The role of C-H and C-C stretching modes in the intrinsic non-radiative decay of triplet states in a Pt-containing conjugated phenylene ethynylene

Includes: Supplementary data

Journal Articles

Zero kinetic energy photoelectron spectroscopy of jet cooled benzo[a]pyrene from resonantly enhanced multiphoton ionization

Jie Zhang, Colin Harthcock, Fangyuan Han, Wei Kong

J. Chem. Phys. 135, 244306 (2011)

https://doi.org/10.1063/1.3672161

Published: December 2011

View articletitled, Zero kinetic energy photoelectron spectroscopy of jet cooled benzo[a]pyrene from resonantly enhanced multiphoton ionization

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Beyond the Condon limit: Condensed phase optical spectra from atomistic simulations

Photon energy dependence of the photoelectron spectra of the anthracene anion: On the influence of autodetaching states

Vibrational response functions for multidimensional electronic spectroscopy in the adiabatic regime: A coherent-state approach

All-experimental analysis of doubly resonant sum-frequency generation spectra for Franck–Condon and Herzberg–Teller vibronic modes

Reflections on electron transfer theory

Theory of molecular emission power spectra. I. Macroscopic quantum electrodynamics formalism

On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra

A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene

High-resolution photoelectron spectra of the pyrimidine-type nucleobases

Ground and excited states of zinc phthalocyanine, zinc tetrabenzoporphyrin, and azaporphyrin analogs using DFT and TDDFT with Franck-Condon analysis

Simulation of the single-vibronic-level emission spectrum of HPS

Mass-resolved two-photon and photoelectron spectra of ArXe in the region of Xe^* 7p, 6p′, 6d

Radiative charge transfer in He⁺ + H₂ collisions in the milli- to nano-electron-volt range: A theoretical study within state-to-state and optical potential approaches

The $X^{1}\Sigma ^{+}_{g}$ X 1 Σ g + ground state of Mg₂ studied by Fourier-transform spectroscopy

Note: Photoelectron spectroscopy of cold UF₅⁻

A comprehensive study of the vibrationally resolved S 2p⁻¹ Auger electron spectrum of carbonyl sulfide

Probing the structures and chemical bonding of boron-boronyl clusters using photoelectron spectroscopy and computational chemistry: B₄(BO)_n⁻ (n = 1–3)

Photoelectron spectroscopy of the molecular anions, ZrO⁻, HfO⁻, HfHO⁻, and HfO₂H⁻

The role of C-H and C-C stretching modes in the intrinsic non-radiative decay of triplet states in a Pt-containing conjugated phenylene ethynylene

Zero kinetic energy photoelectron spectroscopy of jet cooled benzo[a]pyrene from resonantly enhanced multiphoton ionization

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