OOIR: Observatory of International Research

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 2022-06-01 to 2026-06-01.)

Article	Citations
Ab initio simulation of peak evolutions and beating maps for electronic two-dimensional signals of a polyatomic chromophore	3596
A new dynamic Monte Carlo method satisfying n-particle diffusion equation with position-dependent diffusion coefficient, free energy, and intermolecular interactions	499
Scalable free energy computation of polymers in explicit solvent using TMMC and pre-generated conformation libraries	430
Epitaxial growth of monolayer white phosphorus on Cd(0001)	378
A quantitative model of charge injection by ruthenium chromophores connecting femtosecond to continuous irradiance conditions	235
External concentration gradients can drive a propagating wave in a coherently layered system of nanosheets	187
Visible active narrow/narrow band gap CuO/Cu2SnS3 nanoheterostructures as efficient nanophotocatalysts	159
Theoretical study of kinetic arrest, shear elastic modulus, and yielding in simple biphasic colloidal mixtures	138
Statistical theory of fluids confined in quenched disordered porous media	109
Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures	107
Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator method	102
Mechanistic insights into hole spin dynamics in colloidal Ag+-doped CdSe nanosheets: Interplay between two counteracting surface effects	100
Decay of quasibound states of multidimensional systems with a barrier: A semiclassical transfer matrix approach	88
Environment-limited transfer of angular momentum in Bose liquids	86
Morphology regulation during mechanochemistry synthesis activating nanostructured aluminum lithium storage behavior	80
Stereoselectivity of cis–trans photoisomerization in ethylene: The significance of symmetry breaking minimum energy conical intersection	80
40 Years of colloidal nanocrystals in JCP	80
Layering and capillary waves in the structure factor of liquid surfaces	78
Systematic control of collective variables learned from variational autoencoders	78
Origin of the vibrational structure of the first absorption band of cis/trans isomeric 1,6-diphenylhexatrienes by (TD)DFT calculations	75
Analysis on high-resolution spectrum of the S1–S0 transition of free-base phthalocyanine	74
Unveiling the electron-induced ionization cross sections and fragmentation mechanisms of 3,4-dihydro-2H-pyran	74
Effect of replacing titanium with zirconium on the solubility of lithium in the LixZryTi1−yS2 system	70
Resonant Auger decay of iodobenzene below the I 4d edge	69
Erratum: “Biotin-painted proteins have thermodynamic stability switched by kinetic folding routes” [J. Chem. Phys. 156, 195101 (2022)]	68

Diagrammatic multiplet sum method (MSM) density functional theory (DFT): Investigation of the transferability of integrals in “simple” DFT-based approaches to multideterminantal problems	68
Thermodynamic properties of krypton from Monte Carlo simulations using ab initio potentials	67
Anionic oxyl radical formed on CrVI-oxo anchored on the defect site of the UiO-66 node facilitates methane to methanol conversion	65
Disorder of excitons and trions in monolayer MoSe2	64
General weak segregation theory with an application to monodisperse semi-flexible diblock copolymers	63
Manifestations of the structural origin of supercooled water’s anomalies in the heterogeneous relaxation on the potential energy landscape	63
Electronic state influence on selective bond breaking of core-excited nitrosyl chloride (ClNO)	62
Orientation and dynamics of water molecules in beryl	61
Coherent two-dimensional THz magnetic resonance spectroscopies for molecular magnets: Analysis of Dzyaloshinskii–Moriya interaction	56
Evaluating non-equilibrium trajectories via mean back relaxation: Dependence on length and time scales	56
Matching correlations matters: Modeling friction in a hydrophobic folding transition	56
High kinetic stability and high density of Ir(ppy)3 doped organic semiconductor glasses	56
Plasmonically enhanced electrochemistry boosted by nonaqueous solvent	55
The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory	53
Near-edge x-ray absorption fine structure spectra and specific dissociation of small peptoid molecules	53
Cis- and trans-binding influences in [NUO·(N2)n]+	52
Analytical models for coated plasmonic particles: Effects of shape and size-corrected dielectric function	52
Mid-IR quantum cascade laser spectroscopy to resolve lipid dynamics during the photocycle of bacteriorhodopsin	52
Resolving dispersive diffusion in layered perovskites with photocurrent-detected transient gratings	50
Markov-chain sampling for long-range systems without evaluating the energy	49
Classical density functional theory for nanoparticle-laden droplets	48
Kinetics of bulk crystallization in a supercooled metallic melt: Nucleation stage	47