1-20 of 252
Photo-isomerization
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Ultrafast photodissociation dynamics of dichloromethane on three-dimensional potential energy surfaces and its Coulomb explosion signature

Available to Purchase
Yijue Ding
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034306 (2025)
https://doi.org/10.1063/5.0276070
Published: July 2025
View article titled, Ultrafast photodissociation dynamics of dichloromethane on three-dimensional potential energy surfaces and its Coulomb explosion signature
Open the PDF for Ultrafast photodissociation dynamics of dichloromethane on three-dimensional potential energy surfaces and its Coulomb explosion signature in another window
Journal Articles

Solvent dependent femtosecond E–Z photoisomerization dynamics of hemiindigo derivatives

Available to Purchase
Yamato Higashi, Takayuki Murai, Reona Yoshida, Yu Kihara, Risa Kojima, Takahiro Teramoto, Yutaka Nagasawa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 024305 (2025)
https://doi.org/10.1063/5.0261560
Published: July 2025
View article titled, Solvent dependent femtosecond E–Z photoisomerization dynamics of hemiindigo derivatives
Open the PDF for Solvent dependent femtosecond E–Z photoisomerization dynamics of hemiindigo derivatives in another window
Journal Articles

Characterization of the hemithioindigo photoswitch and its derivatives with x-ray photoabsorption and photoemission spectroscopies

Available to Purchase
L. Oberti, L. Avaldi, P. Bolognesi, M. Bonanomi, R. Borrego-Varillas, C. Callegari, L. Carlini, J. Chiarinelli, E. Ciekalski, M. Coreno, M. Devetta, M. Di Fraia, M. Garavelli, M. Goffe, C. Grazioli, F. Montorsi, K. C. Prince, R. Richter, F. Segatta, S. Waldmannstetter, G. Cerullo, H. Dube, O. Plekan, D. Faccialà, C. Vozzi, A. Nenov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 244202 (2025)
https://doi.org/10.1063/5.0271164
Published: June 2025
View article titled, Characterization of the hemithioindigo photoswitch and its derivatives with x-ray photoabsorption and photoemission spectroscopies
Open the PDF for Characterization of the hemithioindigo photoswitch and its derivatives with x-ray photoabsorption and photoemission spectroscopies in another window
Journal Articles

Impact of solvent polarity on the photoinduced dynamics of a push–pull molecular motor

Available to Purchase
Davide Accomasso, Dominika Makoś
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 224305 (2025)
https://doi.org/10.1063/5.0269998
Published: June 2025
View article titled, Impact of solvent polarity on the photoinduced dynamics of a push–pull molecular motor
Open the PDF for Impact of solvent polarity on the photoinduced dynamics of a push–pull molecular motor in another window
Journal Articles

Stereoselectivity of cis–trans photoisomerization in ethylene: The significance of symmetry breaking minimum energy conical intersection

Available to Purchase
Tengwei Chen, Huihui Deng, Wei Wu, Zhenhua Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 214306 (2025)
https://doi.org/10.1063/5.0271184
Published: June 2025
View article titled, Stereoselectivity of cis–trans photoisomerization in ethylene: The significance of symmetry breaking minimum energy conical intersection
Open the PDF for Stereoselectivity of cis–trans photoisomerization in ethylene: The significance of symmetry breaking minimum energy conical intersection in another window
Journal Articles

On-the-fly simulations of transient absorption pump–probe spectra: Combining mapping dynamics with doorway-window protocol

Available to Purchase
Zhaofa Li, Jiawei Peng, Yifei Zhu, Chao Xu, Liang Peng, Maxim F. Gelin, Feng Long Gu, Zhenggang Lan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 204107 (2025)
https://doi.org/10.1063/5.0252891
Published: May 2025
View article titled, On-the-fly simulations of transient absorption pump–probe spectra: Combining mapping dynamics with doorway-window protocol
Open the PDF for On-the-fly simulations of transient absorption pump–probe spectra: Combining mapping dynamics with doorway-window protocol in another window
Journal Articles

The time-resolved photoelectron spectrum of trans-azobenzene and its relationship with the photoisomerization mechanism: A surface hopping simulation with determination of Dyson orbitals

Available to Purchase
Davide Macis, Giovanni Granucci, Maurizio Persico
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 204101 (2025)
https://doi.org/10.1063/5.0266162
Published: May 2025
View article titled, The time-resolved photoelectron spectrum of trans-azobenzene and its relationship with the photoisomerization mechanism: A surface hopping simulation with determination of Dyson orbitals
Open the PDF for The time-resolved photoelectron spectrum of trans-azobenzene and its relationship with the photoisomerization mechanism: A surface hopping simulation with determination of Dyson orbitals in another window
Journal Articles

Elucidating the effects of isoelectronic atomic substitution on the excited-state dynamics and reactivity of aromatic compounds

Available to Purchase
Sangmin Jeong, Eunji Park, Joonghan Kim, Kyung Hwan Kim
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 194301 (2025)
https://doi.org/10.1063/5.0256292
Published: May 2025
View article titled, Elucidating the effects of isoelectronic atomic substitution on the excited-state dynamics and reactivity of aromatic compounds
Open the PDF for Elucidating the effects of isoelectronic atomic substitution on the excited-state dynamics and reactivity of aromatic compounds in another window
Journal Articles

Enhanced photoisomerization with hybrid metallodielectric cavities based on mode interference

Available to Purchase
Anael Ben-Asher, Thomas Schnappinger, Markus Kowalewski, Johannes Feist
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 094308 (2025)
https://doi.org/10.1063/5.0252988
Published: March 2025
View article titled, Enhanced photoisomerization with hybrid metallodielectric cavities based on mode interference
Open the PDF for Enhanced photoisomerization with hybrid metallodielectric cavities based on mode interference in another window
Journal Articles

Effect of load-resisting force on photoisomerization mechanism of a single second generation light-driven molecular rotary motor

Available to Purchase
Xiaojuan Pang, Kaiyue Zhao, Deping Hu, Quanjie Zhong, Ningbo Zhang, Chenwei Jiang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 164302 (2024)
https://doi.org/10.1063/5.0216074
Published: October 2024
View article titled, Effect of load-resisting force on photoisomerization mechanism of a single second generation light-driven molecular rotary motor
Open the PDF for Effect of load-resisting force on photoisomerization mechanism of a single second generation light-driven molecular rotary motor in another window
Includes: Supplementary data
Journal Articles

The photochemical trans → cis and thermal cis → trans isomerization pathways of azobenzo-13-crown ether: A computational study on a strained cyclic azobenzene system

Available to Purchase
Dilawar Singh Sisodiya, Anjan Chattopadhyay
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 034307 (2024)
https://doi.org/10.1063/5.0206946
Published: July 2024
View article titled, The photochemical trans → cis and thermal cis → trans isomerization pathways of azobenzo-13-crown ether: A computational study on a strained cyclic azobenzene system
Open the PDF for The photochemical trans → cis and thermal cis → trans isomerization pathways of azobenzo-13-crown ether: A computational study on a strained cyclic azobenzene system in another window
Journal Articles

Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamics

Available to Purchase
Zengkui Liu, Ningyi Lyu, Zhubin Hu, Hao Zeng, Victor S. Batista, Xiang Sun
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 024102 (2024)
https://doi.org/10.1063/5.0208708
Published: July 2024
View article titled, Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamics
Open the PDF for Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamics in another window
Journal Articles

The development of the QM/MM interface and its application for the on-the-fly QM/MM nonadiabatic dynamics in JADE package: Theory, implementation, and applications

FeaturedAvailable to Purchase
Haiyi Huang, Jiawei Peng, Yulin Zhang, Feng Long Gu, Zhenggang Lan, Chao Xu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 234101 (2024)
https://doi.org/10.1063/5.0215036
Published: June 2024
View article titled, The development of the QM/MM interface and its application for the on-the-fly QM/MM nonadiabatic dynamics in JADE package: Theory, implementation, and applications
Open the PDF for The development of the QM/MM interface and its application for the on-the-fly QM/MM nonadiabatic dynamics in JADE package: Theory, implementation, and applications in another window
Journal Articles

Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals

Available to Purchase
Manami Hayashi, Masaaki Saitow, Kazuma Uemura, Takeshi Yanai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 194105 (2024)
https://doi.org/10.1063/5.0204419
Published: May 2024
View article titled, Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals
Open the PDF for Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals in another window
Includes: Supplementary data
Journal Articles

Revisiting fulgide photochromism: Mechanistic decoding and electron transport from computational exploration

Available to Purchase
Biman Medhi, Upasana Nath, Manabendra Sarma
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 154308 (2024)
https://doi.org/10.1063/5.0203307
Published: April 2024
View article titled, Revisiting fulgide photochromism: Mechanistic decoding and electron transport from computational exploration
Open the PDF for Revisiting fulgide photochromism: Mechanistic decoding and electron transport from computational exploration in another window
Includes: Supplementary data
Journal Articles

On-the-fly simulation of time-resolved fluorescence spectra and anisotropy

Available to Purchase
Chao Xu, Congru Lin, Jiawei Peng, Juanjuan Zhang, Shichen Lin, Feng Long Gu, Maxim F. Gelin, Zhenggang Lan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 104109 (2024)
https://doi.org/10.1063/5.0201204
Published: March 2024
View article titled, On-the-fly simulation of time-resolved fluorescence spectra and anisotropy
Open the PDF for On-the-fly simulation of time-resolved fluorescence spectra and anisotropy in another window
Journal Articles

Complexes of photosensitive surfactant and fluorescent dye for light-induced manipulation of colloids

Available to Purchase
Anna López de Guereñu, Nino Lomadze, Svetlana Santer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 224907 (2023)
https://doi.org/10.1063/5.0174638
Published: December 2023
View article titled, Complexes of photosensitive surfactant and fluorescent dye for light-induced manipulation of colloids
Open the PDF for Complexes of photosensitive surfactant and fluorescent dye for light-induced manipulation of colloids in another window
Includes: Supplementary data
Journal Articles

Nonadiabatic simulations of photoisomerization and dissociation in ethylene using ab initio classical trajectories

Available to Purchase
K. Miyazaki, N. Ananth
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 124110 (2023)
https://doi.org/10.1063/5.0163371
Published: September 2023
View article titled, Nonadiabatic simulations of photoisomerization and dissociation in ethylene using ab initio classical trajectories
Open the PDF for Nonadiabatic simulations of photoisomerization and dissociation in ethylene using ab initio classical trajectories in another window
Journal Articles

Energy-conserving coupled trajectory mixed quantum–classical dynamics

Free
Evaristo Villaseco Arribas, Neepa T. Maitra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 161105 (2023)
https://doi.org/10.1063/5.0149116
Published: April 2023
View article titled, Energy-conserving coupled trajectory mixed quantum–classical dynamics
Open the PDF for Energy-conserving coupled trajectory mixed quantum–classical dynamics in another window
Journal Articles

Understanding the formation of surface relief gratings in azopolymers: A combined molecular dynamics and experimental study

Available to Purchase
Milena Merkel, Amala Elizabeth, Marcus Böckmann, Harry Mönig, Cornelia Denz, Nikos L. Doltsinis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 104905 (2023)
https://doi.org/10.1063/5.0136327
Published: March 2023
View article titled, Understanding the formation of surface relief gratings in azopolymers: A combined molecular dynamics and experimental study
Open the PDF for Understanding the formation of surface relief gratings in azopolymers: A combined molecular dynamics and experimental study in another window
Includes: Supplementary data