1-20 of 234
Photo-isomerization
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

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

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 <em>ab initio</em> classical trajectories
Open the PDF for Nonadiabatic simulations of photoisomerization and dissociation in ethylene using <em>ab initio</em> classical trajectories in another window
Journal Articles

Energy-conserving coupled trajectory mixed quantum–classical dynamics

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

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
Journal Articles

ReaxFF-based nonadiabatic dynamics method for azobenzene derivatives

Helena Osthues, Nikos L. Doltsinis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 244101 (2022)
https://doi.org/10.1063/5.0129699
Published: December 2022
View article titled, ReaxFF-based nonadiabatic dynamics method for azobenzene derivatives
Open the PDF for ReaxFF-based nonadiabatic dynamics method for azobenzene derivatives in another window
Includes: Supplementary data
Journal Articles

Excited-state resonance Raman spectroscopy probes the sequential two-photon excitation mechanism of a photochromic molecular switch

Kristen H. Burns, Timothy J. Quincy, Christopher G. Elles
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 234302 (2022)
https://doi.org/10.1063/5.0126974
Published: December 2022
View article titled, Excited-state resonance Raman spectroscopy probes the sequential two-photon excitation mechanism of a photochromic molecular switch
Open the PDF for Excited-state resonance Raman spectroscopy probes the sequential two-photon excitation mechanism of a photochromic molecular switch in another window
Includes: Supplementary data
Journal Articles

On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model

Angelo Giussani, Graham A. Worth
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 204301 (2022)
https://doi.org/10.1063/5.0125460
Published: November 2022
View article titled, On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model
Open the PDF for On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model in another window
Includes: Supplementary data
Journal Articles

Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls

Eduarda Sangiogo Gil, Maurizio Persico, Giovanni Granucci
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 161101 (2022)
https://doi.org/10.1063/5.0122109
Published: October 2022
View article titled, Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls
Open the PDF for Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls in another window
Includes: Supplementary data
Journal Articles

Describing the photo-isomerization of a retinal chromophore model with coupled and quantum trajectories

Francesco Talotta, David Lauvergnat, Federica Agostini
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 184104 (2022)
https://doi.org/10.1063/5.0089415
Published: May 2022
View article titled, Describing the photo-isomerization of a retinal chromophore model with coupled and quantum trajectories
Open the PDF for Describing the photo-isomerization of a retinal chromophore model with coupled and quantum trajectories in another window
Journal Articles

Positive and negative signal and line shape in stimulated Raman spectroscopy: Resonance femtosecond Raman spectra of diphenylbutadiene

A. L. Dobryakov, O. A. Krohn, M. Quick, I. N. Ioffe, S. A. Kovalenko
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 084304 (2022)
https://doi.org/10.1063/5.0075116
Published: February 2022
View article titled, Positive and negative signal and line shape in stimulated Raman spectroscopy: Resonance femtosecond Raman spectra of diphenylbutadiene
Open the PDF for Positive and negative signal and line shape in stimulated Raman spectroscopy: Resonance femtosecond Raman spectra of diphenylbutadiene in another window
Includes: Supplementary data
Journal Articles

Moving boundary truncated grid method for electronic nonadiabatic dynamics

Chun-Yaung Lu, Tsung-Yen Lee, Chia-Chun Chou
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 044107 (2022)
https://doi.org/10.1063/5.0078909
Published: January 2022
View article titled, Moving boundary truncated grid method for electronic nonadiabatic dynamics
Open the PDF for Moving boundary truncated grid method for electronic nonadiabatic dynamics in another window
Journal Articles

Multi-objective optimization for retinal photoisomerization models with respect to experimental observables

Rodrigo A. Vargas-Hernández, Chern Chuang, Paul Brumer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 234109 (2021)
https://doi.org/10.1063/5.0060259
Published: December 2021
View article titled, Multi-objective optimization for retinal photoisomerization models with respect to experimental observables
Open the PDF for Multi-objective optimization for retinal photoisomerization models with respect to experimental observables in another window
Journal Articles

Modeling dark- and light-induced crystal structures and single-crystal optical absorption spectra of ruthenium-based complexes that undergo SO2-linkage photoisomerization

Apoorv Jain, Jacqueline M. Cole, Álvaro Vázquez-Mayagoitia, Michael G. Sternberg
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 234111 (2021)
https://doi.org/10.1063/5.0077415
Published: December 2021
View article titled, Modeling dark- and light-induced crystal structures and single-crystal optical absorption spectra of ruthenium-based complexes that undergo SO<sub>2</sub>-linkage photoisomerization
Open the PDF for Modeling dark- and light-induced crystal structures and single-crystal optical absorption spectra of ruthenium-based complexes that undergo SO<sub>2</sub>-linkage photoisomerization in another window
Includes: Supplementary data
Journal Articles

Isomerization and reorientation of Disperse Red 1 in poly(ethyl methacrylate)

S. Grebenkin, V. M. Syutkin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 164901 (2021)
https://doi.org/10.1063/5.0063031
Published: October 2021
View article titled, Isomerization and reorientation of Disperse Red 1 in poly(ethyl methacrylate)
Open the PDF for Isomerization and reorientation of Disperse Red 1 in poly(ethyl methacrylate) in another window
Includes: Supplementary data
Journal Articles

Nonadiabatic dynamics with spin-flip vs linear-response time-dependent density functional theory: A case study for the protonated Schiff base C 5 H 6 N H 2 +

Xing Zhang, John M. Herbert
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 124111 (2021)
https://doi.org/10.1063/5.0062757
Published: September 2021
View article titled, Nonadiabatic dynamics with spin-flip vs linear-response time-dependent density functional theory: A case study for the protonated Schiff base C 5 H 6 N H 2 +
Open the PDF for Nonadiabatic dynamics with spin-flip vs linear-response time-dependent density functional theory: A case study for the protonated Schiff base C 5 H 6 N H 2 + in another window
Journal Articles

Non-statistical fragmentation in photo-activated flavin mononucleotide anions

Linda Giacomozzi, Christina Kjær, Steen Brøndsted Nielsen, Eleanor K. Ashworth, James N. Bull, Mark H. Stockett
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 044305 (2021)
https://doi.org/10.1063/5.0056415
Published: July 2021
View article titled, Non-statistical fragmentation in photo-activated flavin mononucleotide anions
Open the PDF for Non-statistical fragmentation in photo-activated flavin mononucleotide anions in another window
Includes: Supplementary data
Journal Articles

Broadband visible two-dimensional spectroscopy of molecular dyes

Lars Mewes, Rebecca A. Ingle, Andre Al Haddad, Majed Chergui
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 034201 (2021)
https://doi.org/10.1063/5.0053554
Published: July 2021
View article titled, Broadband visible two-dimensional spectroscopy of molecular dyes
Open the PDF for Broadband visible two-dimensional spectroscopy of molecular dyes in another window
Includes: Supplementary data
Journal Articles

Structural and dynamical heterogeneity of water trapped inside Na+-pumping KR2 rhodopsin in the dark state

Mantu Santra, Aniruddha Seal, Kankana Bhattacharjee, Suman Chakrabarty
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 215101 (2021)
https://doi.org/10.1063/5.0044904
Published: June 2021
View article titled, Structural and dynamical heterogeneity of water trapped inside Na<sup>+</sup>-pumping KR2 rhodopsin in the dark state
Open the PDF for Structural and dynamical heterogeneity of water trapped inside Na<sup>+</sup>-pumping KR2 rhodopsin in the dark state in another window
Includes: Supplementary data
Journal Articles

Photoisomerization dynamics of spiropyran: A surface-hopping investigation

Giovanni Granucci, Giancarlo Padula
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 124312 (2021)
https://doi.org/10.1063/5.0045691
Published: March 2021
View article titled, Photoisomerization dynamics of spiropyran: A surface-hopping investigation
Open the PDF for Photoisomerization dynamics of spiropyran: A surface-hopping investigation in another window
Includes: Supplementary data
Journal Articles

Transient 2D IR spectroscopy from micro- to milliseconds

Peter Hamm
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 104201 (2021)
https://doi.org/10.1063/5.0045294
Published: March 2021
View article titled, Transient 2D IR spectroscopy from micro- to milliseconds
Open the PDF for Transient 2D IR spectroscopy from micro- to milliseconds in another window
Journal Articles

Theoretical investigation of a novel xylene-based light-driven unidirectional molecular motor

F. Romeo-Gella, I. Corral, S. Faraji
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 064111 (2021)
https://doi.org/10.1063/5.0038281
Published: February 2021
View article titled, Theoretical investigation of a novel xylene-based light-driven unidirectional molecular motor
Open the PDF for Theoretical investigation of a novel xylene-based light-driven unidirectional molecular motor in another window
Includes: Supplementary data