Journal of Chemical Physics

Papers
(The H4-Index of Journal of Chemical Physics is 45. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-03-01 to 2025-03-01.)
ArticleCitations
Decoherence and vibrational energy relaxation of the electronically excited PtPOP complex in solution748
Molecular dynamics investigation of structural, thermal, and dynamic properties of maghemite through thermal cycling191
Boroxol ring dissolution in molten and glassy B2O3 by neutron and x-ray diffraction difference methods173
Autonomous walking dynamics of a nanorobot on a nanopore track driven by salt concentration gradients157
Fast passage effect in cw-ODMR of an ensemble of NV− centers138
Investigation on phase formation and thermoelectric transport properties of CoTe2–CoSe2 solid solution alloys125
Cross-correlations in the fluctuation–dissipation relation influence barrier-crossing dynamics118
Probing electronic and vibrational structures of TaCn−/0 (n = 2–4) using high-resolution photoelectron spectroscopy and theoretical calculations97
Anisotropic activations controlling doublet–quartet spin conversion of linked chromophore-radical molecular qubits in fluid97
Time-reversal symmetry in RDMFT and pCCD with complex-valued orbitals94
Mechanism of polymer molecular weight-dependent suppression and promotion of liquid–liquid phase separation of a protein solution by the addition of polymer92
Effect of active layer thickness on device performance of InSnZnO thin-film transistors grown by atomic layer deposition81
Growth of crystalline thin films of picene on semimetallic Bi(111) surface80
Simulation of electron and nuclear spin dynamics in many-spin charge-separated states77
Combined molecular and spin dynamics simulation of BCC iron with vacancy defects68
Exploring low barrier quantum tunneling and structural planarity in 3-methylstyrene conformers: Insights from microwave spectroscopy63
Low-energy electron driven reactions in 2-bromo-5-nitrothiazole62
Spin–lattice relaxation mechanism of magnetic field effects on singlet fission in amorphous molecular semiconductors61
Absolute line strength measurements of HO2 radical in the OO-stretching fundamental band between 1088 and 1124 cm−1 using time-resolved dual-comb spectroscopy61
A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations60
Structure of crystalline water ice formed through neon matrix sublimation under cryogenic and vacuum conditions57
A geminal theory based on the generalized electron pairing57
Transient Raman observation and bond properties of a mixed dihalide radical anion in water56
Nonlinear optical spectroscopy of open quantum systems56
Multi-center decomposition of molecular densities: A numerical perspective56
State-to-state integral cross sections for the Cl + CHD3 (vCH = 0,1) → HCl + CD3 reactions56
Constructing N, B co-doped carbon nanosheets with pyridine N–B sites for boosting sodium-ion storage53
Ultrafast dynamics of hot carriers: Theoretical approaches based on real-time propagation of carrier distributions53
Environment-limited transfer of angular momentum in Bose liquids53
Resolving dispersive diffusion in layered perovskites with photocurrent-detected transient gratings53
Photoelectron–remnant interaction effect on remnant wavefunction in low-kinetic energy electron detachment events52
Transcorrelated methods applied to second row elements51
Bridging scales in chromatin organization: Computational models of loop formation and their implications for genome function51
Nonempirical dielectric dependent hybrid as an accurate starting point for the single shot G0W0 calculation of chalcopyrite semiconductors50
Publisher’s Note: “Physically interpretable performance metrics for clustering” [J. Chem. Phys. 161, 244106 (2024)]49
Accurate machine learning of rate coefficients for state-to-state transitions in molecular collisions49
Toward mitigating the impact of non-bulk defects on describing water structure in salt aqueous solutions: Characterizing solution density with a network-based structural indicator49
Thermostat-induced artificial lane formation in non-equilibrium molecular dynamics48
Corresponding-states framework for classical and quantum fluids—Beyond Feynman–Hibbs48
Universality in diffusion-controlled nucleation and growth48
Zero-cost corrections to influence functional coefficients from bath response functions47
Dipolar Poisson models in a dual view46
Erratum: “Note: Smooth torsional potentials for degenerate dihedral angles” [J. Chem. Phys. 146, 226101 (2017)]45
Polariton chemistry: Molecules in cavities and plasmonic media45
The reaction of O+(4S) ions with H2, HD, and D2 at low temperatures: Experimental study of the isotope effect45
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