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 2021-08-01 to 2025-08-01.)

Article	Citations
Classifying destructive quantum interference in molecular junctions: Toward molecular quantum rulers	1070
Antisymmetry rules of response properties in certain chemical spaces	890
Osmolyte-modulated differential capacitance and disjoining pressure for nanoconfined electrolytes: A modified Poisson–Boltzmann theory	285
Energy transduction in complex networks with multiple resources: The chemistry paradigm	248
Conductivity of concentrated salt solutions	211
Scalable free energy computation of polymers in explicit solvent using TMMC and pre-generated conformation libraries	186
Unified non-equilibrium simulation methodology for flow through nanoporous carbon membrane	144
Cottonseed meal derived porous carbon prepared via the protease pretreatment and reduced activator dosage carbonization for supercapacitor	109
Visible active narrow/narrow band gap CuO/Cu2SnS3 nanoheterostructures as efficient nanophotocatalysts	103
Substantial impact of surface charges on electrochemical reaction kinetics on S vacancies of MoS2 using grand-canonical iteration method	80
Effects of C–H stretching excitation on the dynamics of the O(1D) + CHD3 → OH/OD + CD3/CHD2 reaction	80
Theoretical study of kinetic arrest, shear elastic modulus, and yielding in simple biphasic colloidal mixtures	74
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	72
Diagrammatic multiplet sum method (MSM) density functional theory (DFT): Investigation of the transferability of integrals in “simple” DFT-based approaches to multideterminantal problems	71
Dynamics of the spin-boson model: The effect of bath initial conditions	71
Molecular modification effects on the electrochromic and photochromic properties of diarylethene with intramolecular isomerization behavior	70
Atomic insights into shock-induced alloying reaction of premixed Ni/Al nanolaminates	69
Error of relativistic effective core potentials for closed-shell diatomic molecules of p-block heavy and superheavy elements in DFT and TDDFT calculations	68
De-wetting of evaporating drops on regular patterns of triangular posts	63
Statistical theory of fluids confined in quenched disordered porous media	62
Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures	61
Domain tethering impacts dimerization and DNA-mediated allostery in the human transcription factor FoxP1	61
Determining 3D structure from molecular formula and isotopologue rotational spectra in natural abundance with reflection-equivariant diffusion	60
The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory	59
Relativistic and quantum electrodynamics effects on NMR shielding tensors of TlX (X = H, F, Cl, Br, I, At) molecules	59

Determination of electronic excitation energies within the doubly occupied configuration interaction space by means of the Hermitian operator method	58
The effect of 1H offset and flip-angle on heteronuclear decoupling efficiency in ROSPAC pulsed sequence: A Floquet description	57
High vibrational excitation of the reagent transforms the late-barrier H + HOD reaction into an early-barrier reaction	57
A variable time step self-consistent mean field DSMC model for three-dimensional environments	56
Clock transitions guard against spin decoherence in singlet fission	56
Constructing and representing exchange–correlation holes through artificial neural networks	54
Three-body potential energy surface for para-hydrogen	53
Thermophysical properties of water using reactive force fields	52
Application of the imaginary time hierarchical equations of motion method to calculate real time correlation functions	51
Super-resolved Raman microscopy using random structured light illumination: Concept and feasibility	51
Multi-objective optimization for retinal photoisomerization models with respect to experimental observables	51
Exact decompositions of the total KS-DFT exchange–correlation energy into one- and two-center terms	51
Electronic excitations through the prism of mean-field decomposition techniques	50
Electronic energies from coupled fermionic “Zombie” states' imaginary time evolution	50
Real-time non-adiabatic dynamics in the one-dimensional Holstein model: Trajectory-based vs exact methods	50
Controlling morphology in hybrid isotropic/patchy particle assemblies	49
Tuning the interfacial stoichiometry of InP core and InP/ZnSe core/shell quantum dots	48
Sedimentation path theory for mass-polydisperse colloidal systems	47
Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning	47
Comparison of classical and ab initio simulations of hydronium and aqueous proton transfer	46
Does twist angle affect the properties of water confined inside twisted bilayer graphene?	46
Mid-IR quantum cascade laser spectroscopy to resolve lipid dynamics during the photocycle of bacteriorhodopsin	46
Relative energies without electronic perturbations via alchemical integral transform	46