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 2021-09-01 to 2025-09-01.)

Article	Citations
Classifying destructive quantum interference in molecular junctions: Toward molecular quantum rulers	1267
Antisymmetry rules of response properties in certain chemical spaces	306
MDiGest: A Python package for describing allostery from molecular dynamics simulations	259
Modeling the impact of drug-nanocarriers in lipid membranes	226
Effect of confinement on the dynamics of 1-propanol and other monohydroxy alcohols	206
Accurate molecular orientation at interfaces determined by multimode polarization-dependent heterodyne-detected sum-frequency generation spectroscopy via multidimensional orientational distribution fu	150
Characterization of environmental airborne hydrocarbon contaminants by surface-enhanced Raman scattering	129
Osmolyte-modulated differential capacitance and disjoining pressure for nanoconfined electrolytes: A modified Poisson–Boltzmann theory	105
Conductivity of concentrated salt solutions	86
Energy transduction in complex networks with multiple resources: The chemistry paradigm	84
Systematic control of collective variables learned from variational autoencoders	77
Epitaxial growth of monolayer white phosphorus on Cd(0001)	76
Unified non-equilibrium simulation methodology for flow through nanoporous carbon membrane	74
Visible active narrow/narrow band gap CuO/Cu2SnS3 nanoheterostructures as efficient nanophotocatalysts	72
Cottonseed meal derived porous carbon prepared via the protease pretreatment and reduced activator dosage carbonization for supercapacitor	72
Substantial impact of surface charges on electrochemical reaction kinetics on S vacancies of MoS2 using grand-canonical iteration method	71
Effects of C–H stretching excitation on the dynamics of the O(1D) + CHD3 → OH/OD + CD3/CHD2 reaction	70
Theoretical study of kinetic arrest, shear elastic modulus, and yielding in simple biphasic colloidal mixtures	67
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	64
Diagrammatic multiplet sum method (MSM) density functional theory (DFT): Investigation of the transferability of integrals in “simple” DFT-based approaches to multideterminantal problems	63
Atomic insights into shock-induced alloying reaction of premixed Ni/Al nanolaminates	61
De-wetting of evaporating drops on regular patterns of triangular posts	61
Error of relativistic effective core potentials for closed-shell diatomic molecules of p-block heavy and superheavy elements in DFT and TDDFT calculations	61
Statistical theory of fluids confined in quenched disordered porous media	59
Domain tethering impacts dimerization and DNA-mediated allostery in the human transcription factor FoxP1	58

Determining 3D structure from molecular formula and isotopologue rotational spectra in natural abundance with reflection-equivariant diffusion	57
Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures	57
The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory	57
High vibrational excitation of the reagent transforms the late-barrier H + HOD reaction into an early-barrier reaction	56
Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator method	56
A variable time step self-consistent mean field DSMC model for three-dimensional environments	55
The effect of 1H offset and flip-angle on heteronuclear decoupling efficiency in ROSPAC pulsed sequence: A Floquet description	55
Exact decompositions of the total KS-DFT exchange–correlation energy into one- and two-center terms	54
Three-body potential energy surface for para-hydrogen	54
Multi-objective optimization for retinal photoisomerization models with respect to experimental observables	51
Electronic energies from coupled fermionic “Zombie” states' imaginary time evolution	50
Controlling morphology in hybrid isotropic/patchy particle assemblies	49
Electronic excitations through the prism of mean-field decomposition techniques	49
Sedimentation path theory for mass-polydisperse colloidal systems	48
Does twist angle affect the properties of water confined inside twisted bilayer graphene?	47
Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning	47
Relative energies without electronic perturbations via alchemical integral transform	46
Mid-IR quantum cascade laser spectroscopy to resolve lipid dynamics during the photocycle of bacteriorhodopsin	46
Comparison of classical and ab initio simulations of hydronium and aqueous proton transfer	46
A quantitative model of charge injection by ruthenium chromophores connecting femtosecond to continuous irradiance conditions	45
Origins of the diffuse shared proton vibrational signatures in proton-coupled electron transfer model dyad complexes	45
Dispersive x-ray absorption spectroscopy for time-resolved in situ monitoring of mechanochemical reactions	45