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Journal Articles

Photoabsorption cross section measurements of acetylene in the nonionizing region using the double-ion chamber method

Hyun Kim

J. Chem. Phys. 160, 224303 (2024)

https://doi.org/10.1063/5.0207588

Published: June 2024

View article titled, Photoabsorption cross section measurements of acetylene in the nonionizing region using the double-ion chamber method

Journal Articles

Conformational effects in the vibrational and electronic spectra of propionaldehyde: Experimental and theoretical studies

Neha Sharma, Aparna Shastri, Asim Kumar Das, B. N. Rajasekhar

J. Chem. Phys. 159, 144301 (2023)

https://doi.org/10.1063/5.0169630

Published: October 2023

View article titled, Conformational effects in the vibrational and electronic spectra of propionaldehyde: Experimental and theoretical studies

Includes: Supplementary data

Journal Articles

Dopant ionization and efficiency of ion and electron ejection from helium nanodroplets

Jakob D. Asmussen, Ltaief Ben Ltaief, Keshav Sishodia, Abdul R. Abid, Björn Bastian, Sivarama Krishnan, Henrik B. Pedersen, Marcel Mudrich

J. Chem. Phys. 159, 034301 (2023)

https://doi.org/10.1063/5.0160171

Published: July 2023

View article titled, Dopant ionization and efficiency of ion and electron ejection from helium nanodroplets

Journal Articles

Excitation and fragmentation of the dielectric gas C₄F₇N: Electrons vs photons

Tomáš Ovad, Marin Sapunar, Štěpán Sršeň, Petr Slavíček, Zdeněk Mašín, Nykola C. Jones, Søren Vrønning Hoffmann, Miloš Ranković, Juraj Fedor

J. Chem. Phys. 158, 014303 (2023)

https://doi.org/10.1063/5.0130216

Published: January 2023

View article titled, Excitation and fragmentation of the dielectric gas C4F7N: Electrons vs photons

Includes: Supplementary data

Journal Articles

Vacuum ultraviolet photoexcitation and photofragment spectroscopic studies of ¹⁴N¹⁵N between 109000 and 117500 cm⁻¹

Min Liu, Pan Jiang, Min Cheng, Hong Gao

J. Chem. Phys. 155, 234305 (2021)

https://doi.org/10.1063/5.0072604

Published: December 2021

View article titled, Vacuum ultraviolet photoexcitation and photofragment spectroscopic studies of 14N15N between 109000 and 117500 cm−1

Includes: Supplementary data

Journal Articles

Exciton maps for thermally activated delayed fluorescence active/inactive carbazole benzonitrile derivatives

Yoshifumi Noguchi

J. Chem. Phys. 155, 204302 (2021)

https://doi.org/10.1063/5.0068402

Published: November 2021

View article titled, Exciton maps for thermally activated delayed fluorescence active/inactive carbazole benzonitrile derivatives

Journal Articles

Classical electronic and molecular dynamics simulation for optical response of metal system

Atsushi Yamada

J. Chem. Phys. 155, 174118 (2021)

https://doi.org/10.1063/5.0067144

Published: November 2021

View article titled, Classical electronic and molecular dynamics simulation for optical response of metal system

Includes: Supplementary data

Journal Articles

Predictive optical photoabsorption of Ag₂₄Au(DMBT)₁₈⁻ via efficient TDDFT simulations

Marco Medves, Luca Sementa, Daniele Toffoli, Giovanna Fronzoni, Kumaranchira Ramankutty Krishnadas, Thomas Bürgi, Sara Bonacchi, Tiziano Dainese, Flavio Maran, Alessandro Fortunelli, Mauro Stener

J. Chem. Phys. 155, 084103 (2021)

https://doi.org/10.1063/5.0056869

Published: August 2021

View article titled, Predictive optical photoabsorption of Ag24Au(DMBT)18− via efficient TDDFT simulations

Includes: Supplementary data

Journal Articles

Response of free-standing graphene monolayer exposed to ultrashort intense XUV pulse from free-electron laser

N. Medvedev, H. Noei, S. Toleikis, B. Ziaja

J. Chem. Phys. 154, 204706 (2021)

https://doi.org/10.1063/5.0041261

Published: May 2021

View article titled, Response of free-standing graphene monolayer exposed to ultrashort intense XUV pulse from free-electron laser

Journal Articles

Dipole oscillator strength distributions, sum rules, mean excitation energies, and isotropic van der Waals coefficients for benzene, pyridazine, pyrimidine, pyrazine, s-triazine, toluene, hexafluorobenzene, and nitrobenzene

Ajit J. Thakkar

J. Chem. Phys. 153, 124307 (2020)

https://doi.org/10.1063/5.0025662

Published: September 2020

View article titled, Dipole oscillator strength distributions, sum rules, mean excitation energies, and isotropic van der Waals coefficients for benzene, pyridazine, pyrimidine, pyrazine, s-triazine, toluene, hexafluorobenzene, and nitrobenzene

Includes: Supplementary data

Journal Articles

Light intensity-dependence studies on the role of surface deposits for titania-photocatalyzed oxygen evolution: Are they really cocatalysts?

Pradudnet Ketwong, Shun Yoshihara, Shugo Takeuchi, Mai Takashima, Bunsho Ohtani

J. Chem. Phys. 153, 124709 (2020)

https://doi.org/10.1063/5.0014913

Published: September 2020

View article titled, Light intensity-dependence studies on the role of surface deposits for titania-photocatalyzed oxygen evolution: Are they really cocatalysts?

Journal Articles

Molecular excitations from meta-generalized gradient approximations in the Kohn–Sham scheme

Fabian Hofmann, Stephan Kümmel

J. Chem. Phys. 153, 114106 (2020)

https://doi.org/10.1063/5.0023657

Published: September 2020

View article titled, Molecular excitations from meta-generalized gradient approximations in the Kohn–Sham scheme

Journal Articles

Reinvestigation of the Rydberg W¹ Π ( ν = 1) level of ¹²C¹⁶O, ¹³C¹⁶O, and ¹²C¹⁸O through rotationally dependent photodissociation branching ratio measurements

Pan Jiang, Xiaoping Chi, Guodong Zhang, Tonghui Yin, Lichang Guan, Min Cheng, Hong Gao

J. Chem. Phys. 152, 234308 (2020)

https://doi.org/10.1063/5.0009931

Published: June 2020

View article titled, Reinvestigation of the Rydberg W1 Π ( ν = 1) level of 12C16O, 13C16O, and 12C18O through rotationally dependent photodissociation branching ratio measurements

Includes: Supplementary data

Journal Articles

An efficient hybrid scheme for time dependent density functional theory

Marco Medves, Luca Sementa, Daniele Toffoli, Giovanna Fronzoni, Alessandro Fortunelli, Mauro Stener

J. Chem. Phys. 152, 184104 (2020)

https://doi.org/10.1063/5.0005954

Published: May 2020

View article titled, An efficient hybrid scheme for time dependent density functional theory

Journal Articles

Multiple Auger decays of core-excited states in N₂

Takeshi Odagiri, Takuro Taniguchi, Tatsuo Kaneyasu, Hirokazu Tanaka, Jun-ichi Adachi, Pascal Lablanquie, Yasumasa Hikosaka

J. Chem. Phys. 152, 124301 (2020)

https://doi.org/10.1063/1.5142587

Published: March 2020

View article titled, Multiple Auger decays of core-excited states in N2

Journal Articles

Binuclear Mn oxo complex as a self-contained photocatalyst in water-splitting cycle: Role of additional Mn oxides as a buffer of electrons and protons

Kentaro Yamamoto, Kazuo Takatsuka

J. Chem. Phys. 152, 024115 (2020)

https://doi.org/10.1063/1.5139065

Published: January 2020

View article titled, Binuclear Mn oxo complex as a self-contained photocatalyst in water-splitting cycle: Role of additional Mn oxides as a buffer of electrons and protons

Includes: Supplementary data

Journal Articles

The spin-forbidden vacuum-ultraviolet absorption spectrum of ¹⁴N¹⁵N

A. N. Heays, B. R. Lewis, N. de Oliveira, W. Ubachs

J. Chem. Phys. 151, 224305 (2019)

https://doi.org/10.1063/1.5130206

Published: December 2019

View article titled, The spin-forbidden vacuum-ultraviolet absorption spectrum of 14N15N

Includes: Supplementary data

Journal Articles

Electron spectroscopic study of nanoplasma formation triggered by intense soft x-ray pulses

J. Chem. Phys. 151, 184305 (2019)

https://doi.org/10.1063/1.5115053

Published: November 2019

View article titled, Electron spectroscopic study of nanoplasma formation triggered by intense soft x-ray pulses

Journal Articles

Revisiting the photoabsorption spectrum of NH₃ in the 5.4–10.8 eV energy region

P. Limão-Vieira, N. C. Jones, S. V. Hoffmann, D. Duflot, M. Mendes, A. I. Lozano, F. Ferreira da Silva, G. García, M. Hoshino, H. Tanaka

J. Chem. Phys. 151, 184302 (2019)

https://doi.org/10.1063/1.5128051

Published: November 2019

View article titled, Revisiting the photoabsorption spectrum of NH3 in the 5.4–10.8 eV energy region

Journal Articles

Lanczos-based equation-of-motion coupled-cluster singles-and-doubles approach to the total photoionization cross section of valence excited states

Bruno Nunes Cabral Tenorio, Marco Antonio Chaer Nascimento, Alexandre Braga Rocha, Sonia Coriani

J. Chem. Phys. 151, 184106 (2019)

https://doi.org/10.1063/1.5125125

Published: November 2019

View article titled, Lanczos-based equation-of-motion coupled-cluster singles-and-doubles approach to the total photoionization cross section of valence excited states

NARROW

Topics

Photoabsorption cross section measurements of acetylene in the nonionizing region using the double-ion chamber method

Conformational effects in the vibrational and electronic spectra of propionaldehyde: Experimental and theoretical studies

Dopant ionization and efficiency of ion and electron ejection from helium nanodroplets

Excitation and fragmentation of the dielectric gas C₄F₇N: Electrons vs photons

Vacuum ultraviolet photoexcitation and photofragment spectroscopic studies of ¹⁴N¹⁵N between 109000 and 117500 cm⁻¹

Exciton maps for thermally activated delayed fluorescence active/inactive carbazole benzonitrile derivatives

Classical electronic and molecular dynamics simulation for optical response of metal system

Predictive optical photoabsorption of Ag₂₄Au(DMBT)₁₈⁻ via efficient TDDFT simulations

Response of free-standing graphene monolayer exposed to ultrashort intense XUV pulse from free-electron laser

Dipole oscillator strength distributions, sum rules, mean excitation energies, and isotropic van der Waals coefficients for benzene, pyridazine, pyrimidine, pyrazine, s-triazine, toluene, hexafluorobenzene, and nitrobenzene

Light intensity-dependence studies on the role of surface deposits for titania-photocatalyzed oxygen evolution: Are they really cocatalysts?

Molecular excitations from meta-generalized gradient approximations in the Kohn–Sham scheme

Reinvestigation of the Rydberg W¹ Π ( ν = 1) level of ¹²C¹⁶O, ¹³C¹⁶O, and ¹²C¹⁸O through rotationally dependent photodissociation branching ratio measurements

An efficient hybrid scheme for time dependent density functional theory

Multiple Auger decays of core-excited states in N₂

Binuclear Mn oxo complex as a self-contained photocatalyst in water-splitting cycle: Role of additional Mn oxides as a buffer of electrons and protons

The spin-forbidden vacuum-ultraviolet absorption spectrum of ¹⁴N¹⁵N

Electron spectroscopic study of nanoplasma formation triggered by intense soft x-ray pulses

Revisiting the photoabsorption spectrum of NH₃ in the 5.4–10.8 eV energy region

Lanczos-based equation-of-motion coupled-cluster singles-and-doubles approach to the total photoionization cross section of valence excited states

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