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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
Correlated vibration–solvent and Duschinsky effects on electron transfer dynamics and optical spectroscopy
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 234103 (2025)
Published: June 2025
Journal Articles
Proposal of a reaction mechanism for the thermal carbonation of ethylene oxide by CO2 in ionic liquids
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 234303 (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
Journal Articles
Ultrafast hydrogen-bonding interactions between a photoexcited Cu–anthraquinone donor–acceptor dyad and protic solvents
Available to PurchaseTyler N. Haddock, Wade C. Henke, Subhajyoti Chaudhuri, Jonathan T. Yarranton, George C. Schatz, Karen L. Mulfort, Lin X. Chen
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 214305 (2025)
Published: June 2025
Journal Articles
Theoretical investigation on the conformation of polymer brushes in mixtures of binary solvents
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 194903 (2025)
Published: May 2025
Journal Articles
Modeling electronic absorption spectra with nuclear quantum effects in constrained nuclear–electronic orbital framework
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 154106 (2025)
Published: April 2025
Journal Articles
Understanding nonlinear molecular responses in highly inhomogeneous electric fields: Insights from imidazole and pyrrole
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 144310 (2025)
Published: April 2025
Journal Articles
Hydrogen-bond induced non-linear size dependence of lysozyme under the influence of aqueous glyceline
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 114506 (2025)
Published: March 2025
Journal Articles
Protein solvation: Site-specific hydrophilicity, hydrophobicity, counter ions, and interaction entropy
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 114103 (2025)
Published: March 2025
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Rationalizing protein–ligand interactions via the effective fragment potential method and structural data from classical molecular dynamics
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 045101 (2025)
Published: January 2025
Journal Articles
Mitigation of thermal artifacts in 100 kHz ultrafast 2D IR spectroscopy
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 214202 (2024)
Published: December 2024
Journal Articles
Journal Articles
Evangelos Drougkas, Carsten F. Frøstrup, Henrik G. Bohr, Michael Bache, Georgios M. Kontogeorgis, Xiaodong Liang
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 194307 (2024)
Published: November 2024
Journal Articles
Effect of locally excited state on fluorescence transition dipole moment in quadrupolar molecules subjected to symmetry breaking charge transfer
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 154303 (2024)
Published: October 2024
Journal Articles
Kohn–Sham fragment energy decomposition analysis
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 104110 (2024)
Published: September 2024
Journal Articles
A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations
Available to PurchaseYanrong Jiang, Wenjin Cao, Zhubin Hu, Zhongyao Yue, Chunyuan Bai, Ruxin Li, Zhi Liu, Xue-Bin Wang, Peng Peng
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 054311 (2024)
Published: August 2024
Journal Articles
Mutual synergistic regulation of chloride anion and cesium cation binding using a new designed macrocyclic multi-functional sites receptor: A case of DFT computational prediction
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 034305 (2024)
Published: July 2024
Journal Articles
Calculation of the geometry, absorption spectrum, and first hyperpolarizability of 4,5-dicyanoimidazole derivatives in solution. A multiscale ASEC–FEG study
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 034503 (2024)
Published: July 2024
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