OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Chemical Physics is 43. 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 2021-04-01 to 2025-04-01.)

Article	Citations
Decoherence and vibrational energy relaxation of the electronically excited PtPOP complex in solution	782
Molecular dynamics investigation of structural, thermal, and dynamic properties of maghemite through thermal cycling	407
Machine learning delta-T noise for temperature bias estimation	205
Density fluctuations, solvation thermodynamics, and coexistence curves in grand canonical molecular dynamics simulations	179
Effects of amino-acid functionalization and pH value on temperature-dependent water dynamics in silica confinement	151
Hidden asymmetry in one-dimensional alignment of chiral molecules	149
N-doped MoS2 nanoflowers for the ultrasonic-vibration-driven high piezoelectric catalytic degradation	113
Formation of magnesium clusters in superfluid helium nanodroplets	96
Suppressing sidechain modes and improving structural resolution for 2D IR spectroscopy via vibrational lifetimes	88
Modeling the Kohn–Sham potential for molecular dissociation with orbital-independent functionals: A proof of principle	87
Probing water-electrified electrode interfaces: Insights from Au and Pd	83
Structures and properties of Ca–Xe compounds at extreme pressure and temperature	72
Attaining high accuracy for charge-transfer excitations in non-covalent complexes at second-order perturbation cost: The importance of state-specific self-consistency	66
Enhancing reaction efficiency in photochemical organic synthesis by controlling the dynamic effects of excitons	66
Learning transition path and membrane topological signatures in the folding pathway of bacteriorhodopsin (BR) fragment with artificial intelligence	65
A relativistic third-order algebraic diagrammatic construction theory for electron detachment, attachment, and excitation problems	65
Quantum nature of reactivity modification in vibrational polariton chemistry	63
Realization of tunable-performance in atomic layer deposited Hf-doped In2O3 thin film transistor via oxygen vacancy modulation	63
The role of intermolecular interactions on melt memory and thermal fractionation of semicrystalline polymers	63
Simultaneous refinement of molecular dynamics ensembles and forward models using experimental data	58
Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials	58
Zero-cost corrections to influence functional coefficients from bath response functions	58
Observing vibronic coupling in a strongly hydrogen bonded system with coherent multidimensional vibrational–electronic spectroscopy	57
A fresh look at the vibrational and thermodynamic properties of liquids within the soft potential model	56
Bottom-up coarse-grain modeling of plasticity and nanoscale shear bands in α-RDX	55

Vapor–liquid equilibrium of water with the MB-pol many-body potential	55
Theoretical and practical investigation of ion–ion association in electrolyte solutions	53
Calculating nonlinear response functions for multidimensional electronic spectroscopy using dyadic non-Markovian quantum state diffusion	52
Experimental upper bounds for resonance-enhanced entangled two-photon absorption cross section of indocyanine green	51
Fisher information for smart sampling in time-domain spectroscopy	50
Preliminary investigation on the implementation of an artificial synapse using TaOx-based memristor with thermally oxidized active layer	50
Resolving the odd–even oscillation of water dissociation at rutile TiO2(110)–water interface by machine learning accelerated molecular dynamics	50
Development of anisotropic force fields for homopolymer melts at the mesoscale	48
ColabFit exchange: Open-access datasets for data-driven interatomic potentials	48
Comparative study of first-principles approaches for effective Coulomb interaction strength Ueff between localized f-electrons: Lanthanide metals as an example	47
Boroxol ring dissolution in molten and glassy B2O3 by neutron and x-ray diffraction difference methods	46
Electronic spectra of positively charged carbon clusters—C2n+ (n = 6–14)	46
A geminal theory based on the generalized electron pairing	46
Autonomous walking dynamics of a nanorobot on a nanopore track driven by salt concentration gradients	45
Fast passage effect in cw-ODMR of an ensemble of NV− centers	45
Cross-correlations in the fluctuation–dissipation relation influence barrier-crossing dynamics	44
Investigation on phase formation and thermoelectric transport properties of CoTe2–CoSe2 solid solution alloys	44
Anisotropic activations controlling doublet–quartet spin conversion of linked chromophore-radical molecular qubits in fluid	44
Mechanism of polymer molecular weight-dependent suppression and promotion of liquid–liquid phase separation of a protein solution by the addition of polymer	43
Probing electronic and vibrational structures of TaCn−/0 (n = 2–4) using high-resolution photoelectron spectroscopy and theoretical calculations	43
Effect of active layer thickness on device performance of InSnZnO thin-film transistors grown by atomic layer deposition	43
Time-reversal symmetry in RDMFT and pCCD with complex-valued orbitals	43