OOIR: Observatory of International Research

Papers

(The TQCC of Chinese Journal of Chemical Physics is 2. 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 2021-05-01 to 2025-05-01.)

Article	Citations
Lattice Dynamics and Thermal Conductivity of FeO₂ under High Pressure and High Temperature	23
Development and characterization of a narrow-pulsed molecular beam system	17
Chinese Abstracts	14
Ligand binding and release investigated by contact-guided iterative multiple independent molecular dynamics simulations	13
Controllable modulation of morphology and property of CsPbCl3 perovskite microcrystals by vapor deposition method	12
Neural network method for constructing intermolecular potential energy surfaces of van der Waals complexes	11
A Trifluoromethyl-Containing Pyrrolo[3,2-b]pyrrole Photoinitiator with Long Wavelength in Radical Photopolymerization under LED Irradiation	11
Surface synergistic protections on red phosphorus anode material by poly(3,4-ethylenedioxythiophene) coating and electrolyte strategy in sodium ion batteries	11
Peltier effect in noninteracting double quantum dots	10
Investigation of 10 kHz filtered Rayleigh scattering and CH2O planar laser-induced fluorescence measurement in two-stage swirl combustor	9
Electron energy spectroscopic mapping of surface plasmon by parallel scanning method	9
Identification of Amide Oxygen as First Protonation Site in Gaseous Short Peptides: Theoretical Evidence from a First-Principles Study	9
Elimination of Buried Interface Defects for Highly Efficient and Stable Wide-Bandgap Perovskite Solar Cells	9
Theoretical study on organic photovoltaic heterojunction FTAZ/IDCIC	9
Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy	9
Theoretical study of proton-coupled electron transfer reaction in metal-hydride complexes	8
Alternative role of motif B in template dependent polymerase inhibition	8
Spectroscopic Constants and Anharmonic Force Field of Thiocarbonyl Thioketen and its Isomers: A Theoretical Study	8
Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts	7
Configuration Dynamics of Active Polymer Chain with Actively Driven Regions	7
Enhanced crystal quality of perovskite via protonated graphitic carbon nitride added in carbon-based perovskite solar cells	7
First-principles insights into Ptn/ZnO(0001) catalyst: Regulation of metal-support interaction through surface polarity	7
On-the-fly nonadiabatic dynamics of caffeic acid sunscreen compound	7
MLIMC: Machine learning-based implicit-solvent Monte Carlo	7
C2-Si: A novel silicon allotrope in monoclinic phase	7

Chinese Abstracts	7
Author correction to “Enhanced property of thin cuprous oxide film prepared through green synthetic route”	7
Photocatalytic N2 fixation by plasmonic Mo-doped TiO2 semiconductor	6
Theoretical identification of key structural factors for strong magnetic anisotropy in Ni(II) complexes	6
Revisiting Active Sites for Nitrogen Reduction Reaction on 2D Materials Supported Metal Atoms: A Theoretical Investigation	6
Coherent vibrational dynamics of [Au25(SR)18]- nanoclusters	6
Solvent effect of water on the UV-B absorption of plant sunscreen agents	6
Chinese Abstracts	6
Scaling Rule, Energy Distribution and Energy Level Analysis for Morse Oscillator by Virtue of Hermann-Feynman Theorem	6
Development of a double-well potential upon collisional activation that facilitates proton transfer in 9-methyl-8-oxoguanine-9-methyladenine base-pair radical cation	6
Electronic couplings for singlet oxygen photosensitization and its molecular orbital overlap description	6
Parameterization of Reactive Force Field for Thiol Oxidation and Disulfide Linking	6
Molecular dynamics insights into electron-catalyzed dissociation repair of cyclobutane pyrimidine dimer	6
Sum frequency generation vibrational spectra of perovskite nanocrystals at the single-nanocrystal and ensemble levels	5
Phototactic poly(N-isopropyl acrylamide) microgels with photoresponsive property	5
Ab initio molecular dynamics study of adsorption of hydroxyl groups on graphene surface	5
Chinese Abstracts	5
A Novel Raman Spectrometer using Bessel-like Laser Beam for Homogeneous Phases and Interface Detections	5
Photochemistry of potassium ferrocyanide and its reaction with uridine 5′-monophosphate in aqueous solution under ultraviolet irradiation	5
Time-dependent quantum wave packet calculation for reaction S−(2P)+H2(1Σg+)→SH−(1Σ)+H(2S) on ab Initio potential energy surface	5
Excited-state double proton transfer of 1,8-dihydroxy-2-naphthaldehyde: A MS-CASPT2//CASSCF study	5
Intra- and intermolecular rovibrational states of HCl-H2O and DCl-H2O dimers from full-dimensional and fully coupled quantum calculations	4
Reduction of dimerization tendency due to the decrease in hybridization index by inclusion of 4s and 4p semicore states as valence states in Mon (n = 2 − 18) clusters: A first-principles	4
Low-lying isomers of (TiO2)n (n=2−8) clusters	4
Atomistic modeling of lithium materials from deep learning potential with *ab initio* accuracy	4
Effects of intermolecular interactions on luminescence property in organic molecules	4
Flexible colloidal quantum dot lasers enabled by self-assembly	4
Epitaxial growth of black phosphorene monolayer on ZnO(110) substrate	4
Characterization and visible light photocatalytic activity of cucurbit[n]urils/CdS-MoS2	4
Exciton and vibrational dynamics of MAu24(SR)18 (M=Pd, Pt) nanoclusters	4
DFT studies of CO reaction behavior on α-Fe2O3(001) oxygen-vacancy surface in chemical looping reforming	4
Adaptability of electron-localization strategy for achieving planar tetracoordination: Nitrogen versus carbon	4
Ion-velocity imaging study of dissociative charge exchange reactions between Ar+ and *trans-* / *cis-*	4
Chinese Abstracts	4
Mechanical Properties of Al₂O₃/FeCo Interface under Magnetic Field: A Molecular Dynamics Study	4
Be2H3L2− (L=CH3 and F–I): Hyperhalogen anions with ultrashort beryllium-beryllium distances	4
Machine Learning-based Discovery of Metal-Organic Frameworks for Effective Iodine Capture in Nuclear Waste Management	4
Stability of fluorescence emission from gold nanoclusters and photocatalytic redox on surface	3
Mononuclear carbonyl anion complexes of groups IV and V metals	3
Influence of atomistic protrusion on the substrate on molecular luminescence in tunnel junctions	3
Rationally-designed sandwiched nanostructures boosting Fe-N based catalysts toward efficient oxygen reduction electrocatalysis in acidic medium	3
Aggregation-induced emission with large redshift in 2,7-diphenyl-fluorenone: Reality or artifact?	3
Mechanistic investigation on rhodium(III)-catalyzed cycloaddition of 2-vinylphenol derivatives with ethyne or carbon monoxide by DFT study	3
Phase transition and bond symmetrization associated with noble gas bond in XeO3	3
Uncovering Self-Optimization of Single-Atom Alloy for Active CO₂ Electrochemical Reduction Reaction	3
Thermally Induced Transformation from Cu/FeO/Pt(111) to CuPt₃/FeO/Pt(111)	3
Structure and vibrational spectroscopy of 2-methylallyl alcohol	3
Chinese Abstracts	3
Theoretical investigations of electrochemical nitrogen reduction on single transition metal atom catalysts supported by 1T-MoSe2	3
Sum frequency spectroscopy studies on cell membrane fusion induced by divalent cations	3

Inhibition mechanism of hydroxyproline-like small inhibitors to disorder HIF-VHL interaction by molecular dynamic simulations and binding free energy calculations	3
Chinese Abstracts	3
Copula approach to exchange-correlation hole in many-electron systems with strong correlations	3
Exploring Bonding Properties, Extraction and Separation Performance of Furan-based N,O-Hybrid Extractants for Am(III) and Eu(III)	3
K-means find density peaks in molecular conformation clustering	3
Controlling metalation reaction of phthalocyanine with cobalt at single-molecule level on Au(111) surface	3
Thermochromism of 1,4-bis[2-(4-pyridyl)ethenyl]-benzene derivatives	3
Generalized Energy-Based Fragmentation DLPNO-CCSD(T) Approach at Complete Basis Set Limit and Its Application to Benzene Clusters	3
Reusable Shape-Memory Amorphous Structure Color Photonic Paper for Press Printing	3
Theoretical Insights into Impact of Direct Transfer Coupling on Conductance Spectrum of Diradical Molecular Junction	3
Insight of excited state dynamics in perylenediimide films with diisopropylphenyl- and undecane- substitution	3
Anion photoelectron imaging and theoretical study of Cu(CO)3−	2
QM/MM study on thermally activated delayed fluorescence mechanism of a three-coordinated Au(I) complex: Key roles of crystal environments	2
Delocalized π36 bond in OX2 (X=halogen) molecules	2
Design strategy of polymer matrix to regulate room temperature phosphorescence efficiency	2
15 N/14N isotopic exchange in the dissociative adsorption of N2 on tantalum nitride cluster anions Ta3N3−	2
Effects of coverage, water, and defects on Catechol/TiO2 interface	2
Chinese Abstracts	2
Insight into alkali cation effect on CO2 electroreduction catalyzed by monodispersed Cu-N-C under applied potential	2
Quantitative measurements of second-order nonlinear susceptibility with collinear reflective second harmonic generation	2
Machine Learning Density Functional Compatible with Dispersion Correction for Non-covalent Interactions	2
Unraveling interactions and catalytic mechanisms of ionic liquid [Bmim][BF4] and styrene oxide using sum frequency spectroscopy	2
Relative molecular orientations in organic optoelectronic films probed via polarization-selected UV/IR mixed frequency ultrafast spectroscopy	2
Quantum dynamics calculations on isotope effects of hydrogen transfer isomerization in formic acid dimer	2
Concentration-dependent influence of silver nanoparticles on amyloid fibrillation kinetics of hen egg-white lysozyme	2
Conformational Order of Spacer Cations Dictates Coherent Phonon Oscillations in Two-dimensional Organic‒Inorganic Perovskites	2
Full-dimensional potential energy surfaces of ground (X̃2 A′) and excited (Ã2 A″) electronic States of HCO and absorption spectrum	2
Chinese Abstracts	2
Fabrication and excellent properties of polyvinylidene fluoride/graphene composite films as thermal interface materials	2
Product vibrational state distributions of F+CH3OH reaction on full-dimensional accurate potential energy surface	2
A novel class of phase space representations for the exact population dynamics of two-state quantum systems and the relation to triangle window functions	2
A Green and Recyclable Catalytic Pretreatment Strategy for Enhancing Synthesis of Biofuel	2
Concurrently increasing specific energy and suppressing self-discharge of electrochemical capacitors by complexing carbon nanotubes with redox active units-containing charged copolymers	2
Tuning gene expression by hairpin elements near the start codon of mRNA in mammalian cells	2
Plasmon induced heat funneling from Au to Cu in the bimetallic Au@Cu core-shell nanoparticles	2
Effects of storage time and hydrogen peroxide on the formation of soy globulin 15S in 11S dilute solutions investigated by analytical ultracentrifugation	2
Development of high-resolution photoelectron imaging with dual-reflection time of flight mass analyzer	2
Basis sets dependency in constructing spectroscopy-accuracy Ab Initio global electric dipole moment functions	2
Effect of solvent polarity on excited-state double proton transfer process of 1,5-dihydroxyanthraquinone	2
Carrier recombination and diffusion dynamics in LiBr passivated CsPbBr3 perovskite film with poly(9-vinylcarbazole) film underneath	2
Effect of protein dimerization on ion conductivity of gramicidin a channel studied using polarizable force field	2
Modulation of electronic states in bimetallic-doped nitrogen-carbon based nanoparticles for enhanced oxygen reduction kinetics	2
Structural and bonding properties of AlnC4−/0 (n = 2–4) clusters: Anion photoelectron spectroscopy and theoretical calculations	2
Turmeric-based Green Carbon Quantum Dots for Bacterial Labeling and Cell Imaging	2
Non-covalent interaction of heteroaromatic: Rotational spectroscopy of the thiazole-formic acid complex	2
Activity and adsorption behavior of oxygen on rutile TiO2(110)	2
Erratum to “Tunneling electrons triggered energy transfer between coherently coupled donor-acceptor molecules”	2
Mechanistic insights into intramolecular energy transfer dynamics in photosensitizers for triplet-triplet annihilation upconversion	2
Choice of force fields and water models for sampling solution conformations of bacteriophage T4 lysozyme	2
Titanium doped nanoporous hematite photoanode modified with NiFeCoAlOOH nanoparticles for efficient photoelectrochemical water splitting	2
Magnetic property, electronic structure, and cationic dye removal ability of CuCP-MOF	2
Transferring graph neural network models for predicting bond dissociation energy between datasets	2
Recent implementations in LASP 3.0: Global neural network potential with multiple elements and better long-range description	2
DFT study on the catalytic role of α-MoC(100) in methanol steam reforming	2
Interfacial modification of NiOx by self-assembled monolayer for efficient and stable inverted perovskite solar cells	2
A mechanistic switch in C−H bond activation by elusive FeV(O)(TAML) reaction intermediate: A theoretical study	2
Assessment of advanced xDH@B3LYP methods in describing various potential energy curves driven by π-π, CH/π, and SH/π non-bonded interactions	2
Photoelectron spectroscopy and density functional theory calculations of binary Vn C3/− (n = 1 − 6) clusters	2