OOIR: Observatory of International Research

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 2021-06-01 to 2025-06-01.)

Article	Citations
Molecular rotors to probe the local viscosity of a polymer glass	834
ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals	712
A spur to molecular geometry optimization: Gradient-enhanced universal kriging with on-the-fly adaptive ab initio prior mean functions in curvilinear coordinates	235
Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures	207
QCManyBody: A flexible implementation of the many-body expansion	184
Visible active narrow/narrow band gap CuO/Cu2SnS3 nanoheterostructures as efficient nanophotocatalysts	153
Effect of replacing titanium with zirconium on the solubility of lithium in the LixZryTi1−yS2 system	130
Helium roaming in excess electrons in C60F60 as dynamic quasi-Matryoshka dolls	127
External concentration gradients can drive a propagating wave in a coherently layered system of nanosheets	95
Erratum: “Conductance of concentrated electrolytes: Multivalency and the Wien effect” [J. Chem. Phys. 157, 154502 (2022)]	93
Theoretical study of kinetic arrest, shear elastic modulus, and yielding in simple biphasic colloidal mixtures	72
High vibrational excitation of the reagent transforms the late-barrier H + HOD reaction into an early-barrier reaction	70
Computational determination of the S1(Ã1A″) absorption spectra of HONO and DONO using full-dimensional neural network potential energy surfaces	69
A way to identify whether a DFT gap is from right reasons or error cancellations: The case of copper chalcogenides	69
Kinetic energy released in the vibrational autodetachment of sulfur hexafluoride anion	67
LayerPCM: An implicit scheme for dielectric screening from layered substrates	67
Formation free energy of an i-mer at spinodal	66
Strain induced crystallization of polymers at and above the crystallization temperature by coarse-grained simulations	66
Moving boundary truncated grid method for electronic nonadiabatic dynamics	66
Controlling the volume fraction of glass-forming colloidal suspensions using thermosensitive host “mesogels”	65
Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator method	62
Thermodynamic properties of krypton from Monte Carlo simulations using ab initio potentials	60
Multiparticle collision dynamics for ferrofluids	59
Disorder of excitons and trions in monolayer MoSe2	58
Brownian dynamics simulation of the structural evolution in monodisperse hard-sphere suspensions during drying and sedimentation processes	57

Structural and electrical characterization of self-assembled Sb4 molecules on metal surfaces	56
Guidance on surface cyclization reactions through coordination structures	55
Mitigation of thermal artifacts in 100 kHz ultrafast 2D IR spectroscopy	55
Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning	52
A new generation of effective core potentials: Selected lanthanides and heavy elements	52
Nonmetal-to-metal transition in liquid hydrogen using density functional theory and the Heyd–Scuseria–Ernzerhof exchange-correlation functional	52
Dynamically and structurally heterogeneous 1-propanol/water mixtures	51
Resonant Auger decay of iodobenzene below the I 4d edge	51
Anionic oxyl radical formed on CrVI-oxo anchored on the defect site of the UiO-66 node facilitates methane to methanol conversion	51
Publisher’s Note: “Does the composition in PtGe clusters play any role in fighting CO poisoning?” [J. Chem. Phys. 156, 174301 (2022)]	49
Nanoscopic study on carvone-terpene based natural deep eutectic solvents	49
BAD-NEUS: Rapidly converging trajectory stratification	49
Analysis on high-resolution spectrum of the S1–S0 transition of free-base phthalocyanine	48
Constructing and representing exchange–correlation holes through artificial neural networks	47
Markov-chain sampling for long-range systems without evaluating the energy	46
Evaluation of molecular photophysical and photochemical properties using linear response time-dependent density functional theory with classical embedding: Successes and challenges	46
Manifestations of the structural origin of supercooled water’s anomalies in the heterogeneous relaxation on the potential energy landscape	46
Atomic insights into shock-induced alloying reaction of premixed Ni/Al nanolaminates	45
Plasmonically enhanced electrochemistry boosted by nonaqueous solvent	45
Relative energies without electronic perturbations via alchemical integral transform	45
Multi-objective optimization for retinal photoisomerization models with respect to experimental observables	45