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Journal Articles
Ultrafast photodissociation dynamics of dichloromethane on three-dimensional potential energy surfaces and its Coulomb explosion signature
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 034306 (2025)
Published: July 2025
Journal Articles
Solvent dependent femtosecond E–Z photoisomerization dynamics of hemiindigo derivatives
Available to PurchaseYamato 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)
Published: July 2025
Journal Articles
Characterization of the hemithioindigo photoswitch and its derivatives with x-ray photoabsorption and photoemission spectroscopies
Available to PurchaseL. 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)
Published: June 2025
Journal Articles
Impact of solvent polarity on the photoinduced dynamics of a push–pull molecular motor
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 224305 (2025)
Published: June 2025
Journal Articles
Stereoselectivity of cis–trans photoisomerization in ethylene: The significance of symmetry breaking minimum energy conical intersection
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 214306 (2025)
Published: June 2025
Journal Articles
On-the-fly simulations of transient absorption pump–probe spectra: Combining mapping dynamics with doorway-window protocol
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 204107 (2025)
Published: May 2025
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
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 204101 (2025)
Published: May 2025
Journal Articles
Elucidating the effects of isoelectronic atomic substitution on the excited-state dynamics and reactivity of aromatic compounds
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 194301 (2025)
Published: May 2025
Journal Articles
Enhanced photoisomerization with hybrid metallodielectric cavities based on mode interference
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 094308 (2025)
Published: March 2025
Journal Articles
Effect of load-resisting force on photoisomerization mechanism of a single second generation light-driven molecular rotary motor
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 164302 (2024)
Published: October 2024
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
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 034307 (2024)
Published: July 2024
Journal Articles
Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamics
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 024102 (2024)
Published: July 2024
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
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 234101 (2024)
Published: June 2024
Journal Articles
Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 194105 (2024)
Published: May 2024
Includes: Supplementary data
Journal Articles
Revisiting fulgide photochromism: Mechanistic decoding and electron transport from computational exploration
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 154308 (2024)
Published: April 2024
Includes: Supplementary data
Journal Articles
On-the-fly simulation of time-resolved fluorescence spectra and anisotropy
Available to PurchaseChao 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)
Published: March 2024
Journal Articles
Complexes of photosensitive surfactant and fluorescent dye for light-induced manipulation of colloids
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 159, 224907 (2023)
Published: December 2023
Includes: Supplementary data
Journal Articles
Nonadiabatic simulations of photoisomerization and dissociation in ethylene using ab initio classical trajectories
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 159, 124110 (2023)
Published: September 2023
Journal Articles
Journal Articles
Understanding the formation of surface relief gratings in azopolymers: A combined molecular dynamics and experimental study
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 158, 104905 (2023)
Published: March 2023
Includes: Supplementary data
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