Journal of Chemical Physics

Papers
(The H4-Index of Journal of Chemical Physics is 47. 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 2022-01-01 to 2026-01-01.)
ArticleCitations
Conductivity of concentrated salt solutions2235
Influence of excitonic coupling, static disorder, and coherent dynamics in action-2D electronic spectroscopy of a molecular dimer model396
Relaxation spectra of molecular glass formers probed by tandem Fabry–Perot interferometry and photon correlation spectroscopy: A critical re-assessment300
Ab initio simulation of peak evolutions and beating maps for electronic two-dimensional signals of a polyatomic chromophore284
A new dynamic Monte Carlo method satisfying n-particle diffusion equation with position-dependent diffusion coefficient, free energy, and intermolecular interactions179
Determining 3D structure from molecular formula and isotopologue rotational spectra in natural abundance with reflection-equivariant diffusion178
Self-assembled hemimicelles of perfluoroalkylalkanes: How chain length, shape, and dipole determine internal structure. A new (geometrical + electrostatic) model124
Energy transduction in complex networks with multiple resources: The chemistry paradigm118
Machine learning-accelerated path integral molecular dynamics simulations of reactive organic electrolytes105
Multiparticle collision dynamics for ferrofluids88
High-level studies of the singlet states of quadricyclane, including analysis of a new experimental vacuum ultraviolet absorption spectrum by configuration interaction and density functional calculati86
Thermomechanical relaxation and aging dynamics in La55Al25Co20 metallic glass85
Fast enantioconversion of chiral mixtures based on effective two-level models84
Boroxol ring dissolution in molten and glassy B2O3 by neutron and x-ray diffraction difference methods83
State-selective exciton–plasmon interplay in a hybrid WSe2/CuFeS2 nanosystem74
Energy-based clustering: Fast and robust clustering of data with known likelihood functions70
Relative energies without electronic perturbations via alchemical integral transform68
Antisymmetry rules of response properties in certain chemical spaces68
Origins of the diffuse shared proton vibrational signatures in proton-coupled electron transfer model dyad complexes68
Molecular rotors to probe the local viscosity of a polymer glass66
Measuring the carrier diffusion length in quantum dot films using graphene as photocarrier density probe66
Intrinsic dimensionality of molecular properties65
Deciphering the effects of electrolyte concentration on the performance of lithium batteries by correlative surface characterization64
Exotic Harmonium model: Exploring correlation effects of attractive Coulomb interaction62
Machine learning accelerates Raman computations from molecular dynamics for materials science61
From ab initio to continuum: Linking multiple scales using deep-learned forces61
Moving boundary truncated grid method for electronic nonadiabatic dynamics61
Resolving the interlayer distance of cationic pyrene clusters embedded in superfluid helium droplets using electron diffraction60
Electron transfer in strong-field three-body fragmentation of ArKr2 trimers59
Facile synthesis of core–shell structured C/Fe3O4 composite fiber electromagnetic wave absorbing materials with multiple loss mechanisms59
How short-range adhesion slows down crack closure and contact formation57
Electronic quenching of N(2D) in collision with CO(1Σ+) via spin-forbidden transitions57
Nonlinear optical spectroscopy of open quantum systems55
Three-body potential energy surface for para-hydrogen54
Scalable free energy computation of polymers in explicit solvent using TMMC and pre-generated conformation libraries54
Characterization of environmental airborne hydrocarbon contaminants by surface-enhanced Raman scattering54
Nonmetal-to-metal transition in liquid hydrogen using density functional theory and the Heyd–Scuseria–Ernzerhof exchange-correlation functional53
Epitaxial growth of monolayer white phosphorus on Cd(0001)53
Viscosity of polymer melts using non-affine theory based on vibrational modes52
Molecular modeling and simulation of organic electrolyte solutions for lithium ion batteries52
Statistical adiabatic channel model for termolecular reactions51
A quantitative model of charge injection by ruthenium chromophores connecting femtosecond to continuous irradiance conditions51
Dynamically and structurally heterogeneous 1-propanol/water mixtures50
External concentration gradients can drive a propagating wave in a coherently layered system of nanosheets49
Effects of C–H stretching excitation on the dynamics of the O(1D) + CHD3 → OH/OD + CD3/CHD2 reaction49
Visible active narrow/narrow band gap CuO/Cu2SnS3 nanoheterostructures as efficient nanophotocatalysts49
Theoretical study of kinetic arrest, shear elastic modulus, and yielding in simple biphasic colloidal mixtures48
Mechanistic insights into hole spin dynamics in colloidal Ag+-doped CdSe nanosheets: Interplay between two counteracting surface effects47
Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator method47
What have the XH4+ (X = C, Si, Ge) ions in common? An updated summary47
Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures47
High vibrational excitation of the reagent transforms the late-barrier H + HOD reaction into an early-barrier reaction47
Statistical theory of fluids confined in quenched disordered porous media47
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