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 2022-08-01 to 2026-08-01.)

Article	Citations
A new dynamic Monte Carlo method satisfying n-particle diffusion equation with position-dependent diffusion coefficient, free energy, and intermolecular interactions	4393
Scalable free energy computation of polymers in explicit solvent using TMMC and pre-generated conformation libraries	561
Epitaxial growth of monolayer white phosphorus on Cd(0001)	496
External concentration gradients can drive a propagating wave in a coherently layered system of nanosheets	415
Visible active narrow/narrow band gap CuO/Cu2SnS3 nanoheterostructures as efficient nanophotocatalysts	272
Theoretical study of kinetic arrest, shear elastic modulus, and yielding in simple biphasic colloidal mixtures	256
Statistical theory of fluids confined in quenched disordered porous media	179
Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures	148
Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator method	126
Mechanistic insights into hole spin dynamics in colloidal Ag+-doped CdSe nanosheets: Interplay between two counteracting surface effects	125
Decay of quasibound states of multidimensional systems with a barrier: A semiclassical transfer matrix approach	111
Environment-limited transfer of angular momentum in Bose liquids	110
Morphology regulation during mechanochemistry synthesis activating nanostructured aluminum lithium storage behavior	95
40 Years of colloidal nanocrystals in JCP	93
Stereoselectivity of cis–trans photoisomerization in ethylene: The significance of symmetry breaking minimum energy conical intersection	90
Systematic control of collective variables learned from variational autoencoders	84
Analysis on high-resolution spectrum of the S1–S0 transition of free-base phthalocyanine	83
Layering and capillary waves in the structure factor of liquid surfaces	83
Unveiling the electron-induced ionization cross sections and fragmentation mechanisms of 3,4-dihydro-2H-pyran	82
Thermodynamic properties of krypton from Monte Carlo simulations using ab initio potentials	76
Resonant Auger decay of iodobenzene below the I 4d edge	76
Effect of replacing titanium with zirconium on the solubility of lithium in the LixZryTi1−yS2 system	76
Anionic oxyl radical formed on CrVI-oxo anchored on the defect site of the UiO-66 node facilitates methane to methanol conversion	75
Manifestations of the structural origin of supercooled water’s anomalies in the heterogeneous relaxation on the potential energy landscape	74
General weak segregation theory with an application to monodisperse semi-flexible diblock copolymers	71

Coherent two-dimensional THz magnetic resonance spectroscopies for molecular magnets: Analysis of Dzyaloshinskii–Moriya interaction	68
Orientation and dynamics of water molecules in beryl	68
Near-edge x-ray absorption fine structure spectra and specific dissociation of small peptoid molecules	67
High kinetic stability and high density of Ir(ppy)3 doped organic semiconductor glasses	67
Cis- and trans-binding influences in [NUO·(N2)n]+	66
The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory	66
Resolving dispersive diffusion in layered perovskites with photocurrent-detected transient gratings	64
Analytical models for coated plasmonic particles: Effects of shape and size-corrected dielectric function	64
Markov-chain sampling for long-range systems without evaluating the energy	60
Classical density functional theory for nanoparticle-laden droplets	59
Kinetics of bulk crystallization in a supercooled metallic melt: Nucleation stage	58
Boron-based B3Zn6− alloy cluster as a hybrid between prismatic and sandwich-like structures: Stabilization of a linear B3 chain motif using electronic transmutation	56
De-wetting of evaporating drops on regular patterns of triangular posts	56
The water cavitation line as predicted by the TIP4P/2005 model	56
Tunable surface magnetism by gate voltage in a slab of nonmagnetic half-Heusler compound CoTiSb	54
Direct measurement of repulsive and attractive pair potentials using pairs of optical traps	52
Classifying destructive quantum interference in molecular junctions: Toward molecular quantum rulers	52
The weakly bound CO molecule adsorbed on the low-index CeO2 surfaces: A case for a CCSD(T) benchmark study using an embedded-cluster model	52
Polyelectrolyte complexation of two oppositely charged symmetric polymers: A minimal theory	49
Osmolyte-modulated differential capacitance and disjoining pressure for nanoconfined electrolytes: A modified Poisson–Boltzmann theory	49
Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface	49
Determining 3D structure from molecular formula and isotopologue rotational spectra in natural abundance with reflection-equivariant diffusion	47
Structural and electrical characterization of self-assembled Sb4 molecules on metal surfaces	47