OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Chemical Physics is 46. 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 2022-05-01 to 2026-05-01.)

Article	Citations
Ab initio simulation of peak evolutions and beating maps for electronic two-dimensional signals of a polyatomic chromophore	3337
A new dynamic Monte Carlo method satisfying n-particle diffusion equation with position-dependent diffusion coefficient, free energy, and intermolecular interactions	480
Determining 3D structure from molecular formula and isotopologue rotational spectra in natural abundance with reflection-equivariant diffusion	408
Energy transduction in complex networks with multiple resources: The chemistry paradigm	367
Machine learning-accelerated path integral molecular dynamics simulations of reactive organic electrolytes	227
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 calculati	154
Thermomechanical relaxation and aging dynamics in La55Al25Co20 metallic glass	151
Fast enantioconversion of chiral mixtures based on effective two-level models	134
Boroxol ring dissolution in molten and glassy B2O3 by neutron and x-ray diffraction difference methods	102
Origins of the diffuse shared proton vibrational signatures in proton-coupled electron transfer model dyad complexes	99
Energy-based clustering: Fast and robust clustering of data with known likelihood functions	99
Relative energies without electronic perturbations via alchemical integral transform	94
Antisymmetry rules of response properties in certain chemical spaces	86
Intrinsic dimensionality of molecular properties	85
Nonlinear optical spectroscopy of open quantum systems	78
Electron transfer in strong-field three-body fragmentation of ArKr2 trimers	78
Effect of molecular permanent dipole moment on guest aggregation and exciton quenching in phosphorescent organic light emitting diodes	76
Glycerol and propylene glycol nucleation in a laminar flow diffusion chamber	76
Isotope effects in supercooled H2O and D2O and a corresponding-states-like rescaling of the temperature and pressure	75
Replicated liquid theory in 1 + ∞ dimensions	75
Homogeneous nucleation rate of carbon dioxide hydrate formation under experimental condition from Seeding simulations	74
Shear induced tuning and memory effects in colloidal gels of rods and spheres	73
Structure of diopside, enstatite, and magnesium aluminosilicate glasses: A joint approach using neutron and x-ray diffraction and solid-state NMR	68
Non-equilibrium relaxation in water no man’s land	66
Fingerprints of ordered self-assembled structures in the liquid phase of a hard-core, square-shoulder system	66

Global machine learning potentials for molecular crystals	64
Rotationally inelastic scattering of cyanocyclopentadiene by helium atoms	63
Nitrogen reduction on crystalline carbon nitride supported by homonuclear bimetallic atoms	63
A bond swap algorithm for simulating dynamically crosslinked polymers	62
Correlation between macroscopic and microscopic relaxation dynamics of water: Evidence for two liquid forms	62
Self-assembled hemimicelles of perfluoroalkylalkanes: How chain length, shape, and dipole determine internal structure. A new (geometrical + electrostatic) model	62
Two-mode Floquet fewest switches surface hopping for nonadiabatic dynamics driven by two-frequency laser fields	60
Describing proton transfer modes in shared proton systems with constrained nuclear–electronic orbital methods	60
Theoretical quantum design of pump-laser pulses for generating helical photon-dressed states	57
Real-time non-adiabatic dynamics in the one-dimensional Holstein model: Trajectory-based vs exact methods	55
The mechanics of nucleation and growth and the surface tensions of active matter	55
Computing excited eigenstates using inexact Lanczos methods and tree tensor network states	55
Intense charge transfer plasmons in golden nanoparticle dimers connected by conductive molecular linkers	53
First-principles insights into Si substitution effects in Sm2(Fe,Si)17Cx magnet	52
DFT-based QM/MM with particle-mesh Ewald for direct, long-range electrostatic embedding	52
Constrained nuclear–electronic orbital method for periodic density functional theory: Application to H2 chemisorption on Si(001) surfaces	51
Molecular rotors to probe the local viscosity of a polymer glass	50
Viscosity of polymer melts using non-affine theory based on vibrational modes	50
Epitaxial growth of monolayer white phosphorus on Cd(0001)	48
Scalable free energy computation of polymers in explicit solvent using TMMC and pre-generated conformation libraries	48
Statistical adiabatic channel model for termolecular reactions	47
External concentration gradients can drive a propagating wave in a coherently layered system of nanosheets	46
A quantitative model of charge injection by ruthenium chromophores connecting femtosecond to continuous irradiance conditions	46