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Journal Articles
Repeated interaction scheme for the quantum simulation of non-Markovian electron transfer dynamics
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 224112 (2025)
Published: June 2025
Journal Articles
Excited-state decay dynamics of endohedral metal–metal-bonding fullerenes
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 224304 (2025)
Published: June 2025
Journal Articles
Journal Articles
Photolysis of methyl nitrate (CH3ONO2) through the prism of ab initio simulations of transient-absorption pump–probe spectra
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 224302 (2025)
Published: June 2025
Journal Articles
Exact first-passage time distributions from time-dependent solutions of the chemical master equation. II. Nonlinear networks with bimolecular reactions and arbitrary initial conditions
Available to Purchase
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 224105 (2025)
Published: June 2025
Journal Articles
Exact first-passage time distributions from time-dependent solutions of the chemical master equation. I. Nonlinear networks with bimolecular reactions and Poisson-product initial conditions
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 224104 (2025)
Published: June 2025
Journal Articles
Energy dissipation in ensembles of catalytic Janus particles
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 214905 (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
Landau–Zener transitions with spin flipping in chiral structures
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 204303 (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
Journal Articles
Analysis of variants of non-adiabatic ring polymer molecular dynamics for calculating excited state dynamics
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 174104 (2025)
Published: May 2025
Journal Articles
A simulation-based comparative study on the reaction-controlled terminal relaxation of associative and dissociative CANs using a mesoscopic coarse-grained single-chain model
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 174904 (2025)
Published: May 2025
Journal Articles
Ultrafast vibrational spectroscopic analysis of the ubiquitous precatalyst [Mn2(CO)10] in different solvents
Open AccessAmy L. Farmer, Barbara Procacci, Daniel J. Shaw, Sabina Gurung, Ian J. S. Fairlamb, Jason M. Lynam, Neil T. Hunt
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 174302 (2025)
Published: May 2025
Journal Articles
Double-quantum two-dimensional electronic–vibrational spectroscopy: Theory. Vibronic coherences in nonadiabatic phenomena
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 174202 (2025)
Published: May 2025
Journal Articles
Journal Articles
Cold collisions of highly vibrationally excited and aligned D2 with Ne
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 164307 (2025)
Published: April 2025
Journal Articles
Quantum stereodynamical control of charge transfer in low-temperature H+ + NO (v = 0, j = 2) collisions
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 164306 (2025)
Published: April 2025
Journal Articles
Thermodynamics for reduced models of polymer aggregation based on maximum entropy principle
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 164901 (2025)
Published: April 2025
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