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 2021-11-01 to 2025-11-01.)

Article	Citations
Chinese Abstracts	17
A trifluoromethyl-containing pyrrolo[3,2-b]pyrrole photoinitiator with long wavelength in radical photopolymerization under LED irradiation	15
Controllable modulation of morphology and property of CsPbCl3 perovskite microcrystals by vapor deposition method	14
Lattice dynamics and thermal conductivity of FeO2 under high pressure and high temperature	12
Cesium- and Chlorine-Doped MAPbI₃ Perovskites under Open-Air Conditions for Efficient and Stable Photovoltaic Devices	12
Neural network method for constructing intermolecular potential energy surfaces of van der Waals complexes	11
Development and characterization of a narrow-pulsed molecular beam system	11
Variational quantum simulation of dynamical quantum phase transition in Markovian open quantum systems	11
Peltier effect in noninteracting double quantum dots	10
Alternative role of motif B in template dependent polymerase inhibition	9
Investigation of 10 kHz filtered Rayleigh scattering and CH2O planar laser-induced fluorescence measurement in two-stage swirl combustor	9
Identification of Amide Oxygen as First Protonation Site in Gaseous Short Peptides: Theoretical Evidence from a First-Principles Study	9
Spectroscopic constants and anharmonic force field of thiocarbonyl thioketen and its isomers: A theoretical study	9
Geometric Structures and Electronic Properties of Co₂Ge₁₀^−/0: Anion Photoelectron Spectroscopy and Quantum Chemistry Calculations	9
Theoretical study on organic photovoltaic heterojunction FTAZ/IDCIC	8
Elimination of buried interface defects for highly efficient and stable wide-bandgap perovskite solar cells	8
Electron energy spectroscopic mapping of surface plasmon by parallel scanning method	8
Doubly Charged Carbon Dioxide Produced by Electron Impact with Molecular Clusters	8
C2-Si: A novel silicon allotrope in monoclinic phase	7
MLIMC: Machine learning-based implicit-solvent Monte Carlo	7
Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy	7
Enhanced crystal quality of perovskite via protonated graphitic carbon nitride added in carbon-based perovskite solar cells	7
Chinese Abstracts	7
Theoretical study of proton-coupled electron transfer reaction in metal-hydride complexes	7
Ionization and Dissociation of Molecules Triggered by Intense Femtosecond Laser Pulses	7

Author correction to “Enhanced property of thin cuprous oxide film prepared through green synthetic route”	7
On-the-fly nonadiabatic dynamics of caffeic acid sunscreen compound	7
Surface synergistic protections on red phosphorus anode material by poly(3,4-ethylenedioxythiophene) coating and electrolyte strategy in sodium ion batteries	7
Configuration Dynamics of Active Polymer Chain with Actively Driven Regions	7
Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts	6
Theoretical identification of key structural factors for strong magnetic anisotropy in Ni(II) complexes	6
Scaling rule, energy distribution and energy level analysis for morse oscillator by virtue of Hermann-Feynman theorem	6
Theoretical study of configurationally disordered bimetallic surfaces based on machine learning force field aided cluster expansion approach	6
First-principles insights into Ptn/ZnO(0001) catalyst: Regulation of metal-support interaction through surface polarity	6
Electronic couplings for singlet oxygen photosensitization and its molecular orbital overlap description	6
Solvent effect of water on the UV-B absorption of plant sunscreen agents	6
Tuning Ionic Potential of Metal Fluorides in Solid Polymer Electrolytes for High-Rate Lithium Batteries	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
Parameterization of Reactive Force Field for Thiol Oxidation and Disulfide Linking	6
Atomic-level mechanistic insights into carbonate electrolyte degradation on high-voltage LiCoO2 cathodes	5
Phototactic poly(N-isopropyl acrylamide) microgels with photoresponsive property	5
Ion-velocity imaging study of dissociative charge exchange reactions between Ar+ and *trans-* / *cis-*	5
Photochemistry of potassium ferrocyanide and its reaction with uridine 5′-monophosphate in aqueous solution under ultraviolet irradiation	5
Revisiting active sites for nitrogen reduction reaction on 2D materials supported metal atoms: A theoretical investigation	5
Molecular dynamics insights into electron-catalyzed dissociation repair of cyclobutane pyrimidine dimer	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
Phase Transition of Fe-Co Alloy under Magnetic Field with Machine Learning Force Field	5
Chinese Abstracts	5
Ab initio molecular dynamics study of adsorption of hydroxyl groups on graphene surface	5
A Novel Raman Spectrometer using Bessel-like Laser Beam for Homogeneous Phases and Interface Detections	5
Sum frequency spectroscopy studies on cell membrane fusion induced by divalent cations	4
Zinc Phthalocyanine as a Promising Photosensitizer for Triplet-Triplet Annihilation Upconversion	4
Adaptability of electron-localization strategy for achieving planar tetracoordination: Nitrogen versus carbon	4
Sum frequency generation vibrational spectra of perovskite nanocrystals at the single-nanocrystal and ensemble levels	4
Epitaxial growth of black phosphorene monolayer on ZnO(110) substrate	4
Mechanical properties of Al2O3/FeCo interface under magnetic field: A molecular dynamics study	4
Atomistic modeling of lithium materials from deep learning potential with *ab initio* accuracy	4
Mechanistic investigation on rhodium(III)-catalyzed cycloaddition of 2-vinylphenol derivatives with ethyne or carbon monoxide by DFT study	4
Flexible colloidal quantum dot lasers enabled by self-assembly	4
Characterization and visible light photocatalytic activity of cucurbit[n]urils/CdS-MoS2	4
Intra- and intermolecular rovibrational states of HCl-H2O and DCl-H2O dimers from full-dimensional and fully coupled quantum calculations	4
Effects of intermolecular interactions on luminescence property in organic molecules	4
Machine Learning-based Discovery of Metal-Organic Frameworks for Effective Iodine Capture in Nuclear Waste Management	4
Inhibition mechanism of hydroxyproline-like small inhibitors to disorder HIF-VHL interaction by molecular dynamic simulations and binding free energy calculations	4
Chinese Abstracts	4
Exciton and vibrational dynamics of MAu24(SR)18 (M=Pd, Pt) nanoclusters	4
Chinese Abstracts	4
Be2H3L2− (L=CH3 and F–I): Hyperhalogen anions with ultrashort beryllium-beryllium distances	4
DFT studies of CO reaction behavior on α-Fe2O3(001) oxygen-vacancy surface in chemical looping reforming	4
Low-lying isomers of (TiO2)n (n=2−8) clusters	4
Exploring Bonding Properties, Extraction and Separation Performance of Furan-based N,O-Hybrid Extractants for Am(III) and Eu(III)	3
Reactions between HOCO⁺ and H₂ Produce Water: a Computational Study	3
Mononuclear carbonyl anion complexes of groups IV and V metals	3
Mechanistic insights into intramolecular energy transfer dynamics in photosensitizers for triplet-triplet annihilation upconversion	3

Aggregation-induced emission with large redshift in 2,7-diphenyl-fluorenone: Reality or artifact?	3
Anion photoelectron imaging and theoretical study of Cu(CO)3−	3
Influence of radio-frequency voltage on electron spin resonance spectroscopy in scanning tunneling microscopy	3
Chinese Abstracts	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
K-means find density peaks in molecular conformation clustering	3
Copula approach to exchange-correlation hole in many-electron systems with strong correlations	3
Modulation of electronic states in bimetallic-doped nitrogen-carbon based nanoparticles for enhanced oxygen reduction kinetics	3
A mechanistic switch in C−H bond activation by elusive FeV(O)(TAML) reaction intermediate: A theoretical study	3
Influence of atomistic protrusion on the substrate on molecular luminescence in tunnel junctions	3
Insight of excited state dynamics in perylenediimide films with diisopropylphenyl- and undecane- substitution	3
Interfacial modification of NiOx by self-assembled monolayer for efficient and stable inverted perovskite solar cells	3
Unraveling Nonradiative Effects and Reaction Mechanism of Aza-Paternò-Büchi Reaction Catalyzed by a Cu(I) Complex	3
Assessment of advanced xDH@B3LYP methods in describing various potential energy curves driven by π-π, CH/π, and SH/π non-bonded interactions	3
Generalized energy-based fragmentation DLPNO-CCSD(T) approach at complete basis set limit and its application to benzene clusters	3
Rejuvenation and Memory Effects in WCA Systems: A Free-Volume Perspective on Hierarchical Relaxation Dynamics	3
Reusable Shape-Memory Amorphous Structure Color Photonic Paper for Press Printing	3
Photoelectron spectroscopy and density functional theory calculations of binary Vn C3/− (n = 1 − 6) clusters	3
Exciton dynamics in edge-on ZnPc-F8ZnPc system: Insights from quantum simulations	3
Thermally Induced Transformation from Cu/FeO/Pt(111) to CuPt₃/FeO/Pt(111)	3
Stability of fluorescence emission from gold nanoclusters and photocatalytic redox on surface	3
Rationally-designed sandwiched nanostructures boosting Fe-N based catalysts toward efficient oxygen reduction electrocatalysis in acidic medium	3
Machine learning density functional compatible with dispersion correction for non-covalent interactions	3
Chinese Abstracts	3
Unveiling Salt-dependent Conformation Changes and Kinetics of Interfacial MicroRNA Let-7c Molecules using SFG-VS	3
Enhanced methanol decomposition via metal-support interaction on Ni/CeO2(111) surface	3
Collision-induced relaxation of CH(X2∏, υ=0) radical by He, Ar, and N2 under low-temperature supersonic flow condition	3
Theoretical Insights into Impact of Direct Transfer Coupling on Conductance Spectrum of Diradical Molecular Junction	3
Conformational Order of Spacer Cations Dictates Coherent Phonon Oscillations in Two-dimensional Organic‒Inorganic Perovskites	3
Theoretical investigations of electrochemical nitrogen reduction on single transition metal atom catalysts supported by 1T-MoSe2	3
Relative molecular orientations in organic optoelectronic films probed via polarization-selected UV/IR mixed frequency ultrafast spectroscopy	3
Structure and vibrational spectroscopy of 2-methylallyl alcohol	3
Basis sets dependency in constructing spectroscopy-accuracy Ab Initio global electric dipole moment functions	2
Tuning gene expression by hairpin elements near the start codon of mRNA in mammalian cells	2
Concurrently increasing specific energy and suppressing self-discharge of electrochemical capacitors by complexing carbon nanotubes with redox active units-containing charged copolymers	2
Plasmon induced heat funneling from Au to Cu in the bimetallic Au@Cu core-shell nanoparticles	2
Development of high-resolution photoelectron imaging with dual-reflection time of flight mass analyzer	2
Mechanistic study of initial quenching process in photocatalytic α-keto acids radical acylation: A general strategy for enhancing quantum efficiency	2
Delocalized π36 bond in OX2 (X=halogen) molecules	2
Integrating Multiple Time Step Method and Implicit Solvent Model for Molecular Dynamics Simulations of Proteins	2
Photo-induced ultrafast electron dynamics in anatase and rutile TiO2: Effects of electron-phonon interaction	2
Full-dimensional potential energy surfaces of ground (X̃2 A′) and excited (Ã2 A″) electronic States of HCO and absorption spectrum	2
Unraveling interactions and catalytic mechanisms of ionic liquid [Bmim][BF4] and styrene oxide using sum frequency spectroscopy	2
Structural and bonding properties of AlnC4−/0 (n = 2–4) clusters: Anion photoelectron spectroscopy and theoretical calculations	2
A Green and Recyclable Catalytic Pretreatment Strategy for Enhancing Synthesis of Biofuel	2
Frequently Encountered Factors Which Obstruct Evaluation of Intrinsic Kinetics of Hydrogen Electrocatalytic Reaction	2
DFT study on the catalytic role of α-MoC(100) in methanol steam reforming	2
Magnetic property, electronic structure, and cationic dye removal ability of CuCP-MOF	2
Quantum dynamics calculations on isotope effects of hydrogen transfer isomerization in formic acid dimer	2
Recent implementations in kylin 1.3: Improved computational efficiency of *ab initio* DMRG and a spin-adapted version of EC-MRCI	2
Chinese Abstracts	2
Enhanced photocatalytic performance of anatase TiO2 by deposition-precipitation treatment	2
Non-covalent interaction of heteroaromatic: Rotational spectroscopy of the thiazole-formic acid complex	2
QM/MM study on thermally activated delayed fluorescence mechanism of a three-coordinated Au(I) complex: Key roles of crystal environments	2
Fabrication and excellent properties of polyvinylidene fluoride/graphene composite films as thermal interface materials	2
Ultrafast Excited-State Dynamics of Halogen-substituted Squarylium: Absence of the Heavy-Atom Effect	2
15 N/14N isotopic exchange in the dissociative adsorption of N2 on tantalum nitride cluster anions Ta3N3−	2
Design strategy of polymer matrix to regulate room temperature phosphorescence efficiency	2
Turmeric-based green carbon quantum dots for bacterial labeling and cell imaging	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
Molecular Dynamics Study of OH-Induced Disintegration of Cu/ZnO Catalysts Based on Machine Learning Potentials	2
Effects of coverage, water, and defects on Catechol/TiO2 interface	2
Crossed-Beam Studies of Aluminum Atom Cooling via Inelastic Collisions with O₂ Molecules	2
Carrier recombination and diffusion dynamics in LiBr passivated CsPbBr3 perovskite film with poly(9-vinylcarbazole) film underneath	2
Dynamic intermolecular space for reversible CO2 capture and release	2
Solvent-dependent Photophysical Dynamics of Nitro-substituted Triphenylamine: Insights from Spectroscopies and DFT Calculations	2
Erratum to “Tunneling electrons triggered energy transfer between coherently coupled donor-acceptor molecules”	2
Enhanced Triplet State of Coralyne via DNA-Templated Gold Nanostars	2
Activity and adsorption behavior of oxygen on rutile TiO2(110)	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
Transferring graph neural network models for predicting bond dissociation energy between datasets	2
Effects of storage time and hydrogen peroxide on the formation of soy globulin 15S in 11S dilute solutions investigated by analytical ultracentrifugation	2
Titanium doped nanoporous hematite photoanode modified with NiFeCoAlOOH nanoparticles for efficient photoelectrochemical water splitting	2
Effect of solvent polarity on excited-state double proton transfer process of 1,5-dihydroxyanthraquinone	2
The Critical Role of Histidine in Copper (II) Coordination	2