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Journal Articles

Modeling the time-resolved Coulomb explosion imaging of halomethane photodissociation with ab initio potential energy curves

Yijue Ding
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 124301 (2025)
https://doi.org/10.1063/5.0256711
Published: March 2025
View article titled, Modeling the time-resolved Coulomb explosion imaging of halomethane photodissociation with <em>ab initio</em> potential energy curves
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Journal Articles

Tracking spin flip-flop dynamics of surface molecules with quantum dissipation theory

Editor’s Pick
Xu Ding, Jiaan Cao, Xiao Zheng, Lyuzhou Ye
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 084114 (2025)
https://doi.org/10.1063/5.0248065
Published: February 2025
View article titled, Tracking spin flip-flop dynamics of surface molecules with quantum dissipation theory
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Journal Articles

A nonequilibrium kinetic model of high-resolution vibrational energy transfer in RDX from selective IR excitation

Zhiyu Liu, Iskander G. Batyrev, Edward F. C. Byrd, Peter W. Chung
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 224703 (2024)
https://doi.org/10.1063/5.0239140
Published: December 2024
View article titled, A nonequilibrium kinetic model of high-resolution vibrational energy transfer in RDX from selective IR excitation
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Journal Articles

Molecular models of PM6 for non-fullerene acceptor organic solar cells: How DAD and ADA structures impact charge separation and charge recombination

Puttipong Pananusorn, Hikaru Sotome, Hiroki Uratani, Fumitaka Ishiwari, Khamphee Phomphrai, Akinori Saeki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184710 (2024)
https://doi.org/10.1063/5.0227785
Published: November 2024
View article titled, Molecular models of PM6 for non-fullerene acceptor organic solar cells: How DAD and ADA structures impact charge separation and charge recombination
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Journal Articles

Energy relaxation of N2O in gaseous, supercritical, and liquid xenon and SF6

Kai Töpfer, Shyamsunder Erramilli, Lawrence D. Ziegler, Markus Meuwly
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184503 (2024)
https://doi.org/10.1063/5.0235760
Published: November 2024
View article titled, Energy relaxation of N<sub>2</sub>O in gaseous, supercritical, and liquid xenon and SF<sub>6</sub>
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Journal Articles

Concurrent processes in the time-resolved solvation and Coulomb ejection of sodium ions in helium nanodroplets

Editor’s Pick
Florent Calvo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 121101 (2024)
https://doi.org/10.1063/5.0230829
Published: September 2024
View article titled, Concurrent processes in the time-resolved solvation and Coulomb ejection of sodium ions in helium nanodroplets
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Journal Articles

Bond dissociation energy of O2 measured by fully state-to-state resolved threshold fragment yield spectra

Peng Wang, Shiyan Gong, Yuxiang Mo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 164302 (2024)
https://doi.org/10.1063/5.0207288
Published: April 2024
View article titled, Bond dissociation energy of O<sub>2</sub> measured by fully state-to-state resolved threshold fragment yield spectra
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Journal Articles

Predissociation dynamics of D2 revealed by variation in fragment anisotropy parameters along the Fano profile

Peng Wang, Shiyan Gong, Yixuan Li, Yuxiang Mo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 094307 (2024)
https://doi.org/10.1063/5.0197408
Published: March 2024
View article titled, Predissociation dynamics of D<sub>2</sub> revealed by variation in fragment anisotropy parameters along the Fano profile
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Includes: Supplementary data
Journal Articles

Bond dissociation energy of N2 measured by state-to-state resolved threshold fragment yield spectra

Peng Wang, Shiyan Gong, Yixuan Li, Yuxiang Mo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 014304 (2024)
https://doi.org/10.1063/5.0187003
Published: January 2024
View article titled, Bond dissociation energy of N<sub>2</sub> measured by state-to-state resolved threshold fragment yield spectra
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Journal Articles

Pushing the heterometal doping limit while preserving long-lived charge separation in a Ti-based MOF photocatalyst

Conor L. Long, Xiaoyi Zhang, Jenny V. Lockard
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 194704 (2023)
https://doi.org/10.1063/5.0174664
Published: November 2023
View article titled, Pushing the heterometal doping limit while preserving long-lived charge separation in a Ti-based MOF photocatalyst
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Includes: Supplementary data
Journal Articles

Parameter estimation in ultrafast spectroscopy using probability theory

Elad Harel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 124101 (2023)
https://doi.org/10.1063/5.0160631
Published: September 2023
View article titled, Parameter estimation in ultrafast spectroscopy using probability theory
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Journal Articles

Resonantly enhanced polariton wave mixing and parametric instability in a Floquet medium

Sho Sugiura, Eugene A. Demler, Mikhail Lukin, Daniel Podolsky
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 174110 (2022)
https://doi.org/10.1063/5.0091718
Published: May 2022
View article titled, Resonantly enhanced polariton wave mixing and parametric instability in a Floquet medium
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Journal Articles

A single methyl group drastically changes urea’s hydration dynamics

Bogdan A. Marekha, Johannes Hunger
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 164504 (2022)
https://doi.org/10.1063/5.0085461
Published: April 2022
View article titled, A single methyl group drastically changes urea’s hydration dynamics
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Journal Articles

Single and sequential double ionization of NO radical in intense laser fields

Shinichi Fukahori, Atsushi Iwasaki, Kaoru Yamanouchi, Hirokazu Hasegawa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 094307 (2022)
https://doi.org/10.1063/5.0077239
Published: March 2022
View article titled, Single and sequential double ionization of NO radical in intense laser fields
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Journal Articles

Survival of rotational alignment in H2 scattering from Si(100)

Christopher Reilly, Andrew Hutchison, Greg O. Sitz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 174705 (2021)
https://doi.org/10.1063/5.0068518
Published: November 2021
View article titled, Survival of rotational alignment in H<sub>2</sub> scattering from Si(100)
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Includes: Supplementary data
Journal Articles

Distinguishing steric and electrostatic molecular probe orientational ordering via their effects on reorientation-induced spectral diffusion

David J. Hoffman, Sebastian M. Fica-Contreras, Junkun Pan, Michael D. Fayer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 244104 (2021)
https://doi.org/10.1063/5.0053308
Published: June 2021
View article titled, Distinguishing steric and electrostatic molecular probe orientational ordering via their effects on reorientation-induced spectral diffusion
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Includes: Supplementary data
Journal Articles

Ab initio molecular dynamics study on energy relaxation path of hydrogen-bonded OH vibration in bulk water

Tatsuya Ishiyama
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 204502 (2021)
https://doi.org/10.1063/5.0050078
Published: May 2021
View article titled, <em>Ab initio</em> molecular dynamics study on energy relaxation path of hydrogen-bonded OH vibration in bulk water
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Includes: Supplementary data
Journal Articles

Ultrafast transient absorption spectroscopy of the photodecarbonylation of photo-oxadibenzocyclooctyne (photo-ODIBO)

Learnmore Shenje, William Thompson, Zichun Ren, Nannan Lin, Vladimir Popik, Susanne Ullrich
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 074302 (2021)
https://doi.org/10.1063/5.0041161
Published: February 2021
View article titled, Ultrafast transient absorption spectroscopy of the photodecarbonylation of photo-oxadibenzocyclooctyne (photo-ODIBO)
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Includes: Supplementary data
Journal Articles

Time-resolved dissociative ionization and double photoionization of CO2

Dror M. Bittner, Krishnendu Gope, Daniel Strasser
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 194201 (2020)
https://doi.org/10.1063/5.0028812
Published: November 2020
View article titled, Time-resolved dissociative ionization and double photoionization of CO<sub>2</sub>
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Journal Articles

Effect of isotope substitution on the Fermi resonance and vibrational lifetime of unnatural amino acids modified with IR probe: A 2D-IR and pump-probe study of 4-azido-L-phenyl alanine

Jun Young Park, Saptarsi Mondal, Hyeok-Jun Kwon, Prabhat Kumar Sahu, Hogyu Han, Kyungwon Kwak, Minhaeng Cho
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 164309 (2020)
https://doi.org/10.1063/5.0025289
Published: October 2020
View article titled, Effect of isotope substitution on the Fermi resonance and vibrational lifetime of unnatural amino acids modified with IR probe: A 2D-IR and pump-probe study of 4-azido-L-phenyl alanine
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Includes: Supplementary data