OOIR: Observatory of International Research

Papers

(The TQCC of Chinese Journal of Chemical Physics is 3. 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 2022-08-01 to 2026-08-01.)

Article	Citations
Chinese Abstracts	15
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
Controllable modulation of morphology and property of CsPbCl3 perovskite microcrystals by vapor deposition method	12
Development and characterization of a narrow-pulsed molecular beam system	11
Neural network method for constructing intermolecular potential energy surfaces of van der Waals complexes	11
Variational quantum simulation of dynamical quantum phase transition in Markovian open quantum systems	11
A trifluoromethyl-containing pyrrolo[3,2-b]pyrrole photoinitiator with long wavelength in radical photopolymerization under LED irradiation	11
Spectroscopic constants and anharmonic force field of thiocarbonyl thioketen and its isomers: A theoretical study	9
Elimination of buried interface defects for highly efficient and stable wide-bandgap perovskite solar cells	9
A Tribute to Prof. Fanao Kong	9
Geometric structures and electronic properties of Co2Ge10−/0: Anion photoelectron spectroscopy and quantum chemistry calculations	9
Doubly charged carbon dioxide produced by electron impact with molecular clusters	9
A cost-effective approach to precisely estimate singlet-triplet energy gaps in MR-TADF molecules: Combining delta self-consistent field and time-dependent density functional theory methods	9
Peltier effect in noninteracting double quantum dots	8
From Solvent-Dependent Singlet Charge Transfer to Efficient Triplet Generation: Significant Role of Platinum(II) Acetylide Bridges in Excited-State Dynamics of Donor-Acceptor-Donor Structures	8
Identification of amide oxygen as first protonation site in gaseous short peptides: Theoretical evidence from first-principles study	8
Surface synergistic protections on red phosphorus anode material by poly(3,4-ethylenedioxythiophene) coating and electrolyte strategy in sodium ion batteries	8
Ab initio chemical kinetics of (2-furyl)(hydroxy)methyl with O2	8
Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy	7
Theoretical study on organic photovoltaic heterojunction FTAZ/IDCIC	7
Chinese Abstracts	7
Conformational analysis and vibrational spectroscopy of neutral and cationic monoethanolamine	7
Investigation of 10 kHz filtered Rayleigh scattering and CH2O planar laser-induced fluorescence measurement in two-stage swirl combustor	7
Theoretical study of proton-coupled electron transfer reaction in metal-hydride complexes	7

KSSOLV-GPU 2.0: A lightweight MATLAB toolbox for GPU-accelerated plane-wave hybrid functional and spin-polarized density functional theory calculations	6
Tuning Ionic Potential of Metal Fluorides in Solid Polymer Electrolytes for High-Rate Lithium Batteries	6
C2-Si: A novel silicon allotrope in monoclinic phase	6
A catalytic system for preparation of diazomethylenephosphoranes R3P = C = N2 from mixed phosphonium-sulfonium bisylide R3P = C = SPh2 and N2	6
Configuration Dynamics of Active Polymer Chain with Actively Driven Regions	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
Chinese Abstracts	6
Author correction to “Enhanced property of thin cuprous oxide film prepared through green synthetic route”	6
Ionization and dissociation of molecules triggered by intense femtosecond laser pulses	6
Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts	6
On-the-fly nonadiabatic dynamics of caffeic acid sunscreen compound	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
Photochemistry of potassium ferrocyanide and its reaction with uridine 5′-monophosphate in aqueous solution under ultraviolet irradiation	5
Vibrational resolved photoelectron imaging and theoretical study of the group IVB transition metal oxides anions: MO2− (M=Ti, Zr, and Hf)	5
Quantum Interference Between H(1s)+H(2s) and H(1s)+H(2p) Channels in Photodissociation of H ₂ ( J	5
Solvent effect of water on the UV-B absorption of plant sunscreen agents	5
Generation of intense terahertz waves and its applications	5
Revisiting active sites for nitrogen reduction reaction on 2D materials supported metal atoms: A theoretical investigation	5
Chinese Abstracts	5
Ion-velocity imaging study of dissociative charge exchange reactions between Ar+ and *trans-* / *cis-*	5
Extended dissipaton theory for higher-order bath couplings and application to non-condon spectroscopy with anharmonicity	5
Scaling rule, energy distribution and energy level analysis for morse oscillator by virtue of Hermann-Feynman theorem	5
Chinese Abstracts	5
Mononuclear Nickel Complexes for CO2 Photoreduction	5
Phototactic poly(N-isopropyl acrylamide) microgels with photoresponsive property	5
Sum frequency generation vibrational spectra of perovskite nanocrystals at the single-nanocrystal and ensemble levels	5
Atomic-level mechanistic insights into carbonate electrolyte degradation on high-voltage LiCoO2 cathodes	5
Parameterization of reactive force field for thiol oxidation and disulfide linking	5
Phase Transition of Fe-Co Alloy under Magnetic Field with Machine Learning Force Field	5
Theoretical identification of key structural factors for strong magnetic anisotropy in Ni(II) complexes	5
Be2H3L2− (L=CH3 and F–I): Hyperhalogen anions with ultrashort beryllium-beryllium distances	4
Epitaxial growth of black phosphorene monolayer on ZnO(110) substrate	4
A novel raman spectrometer using Bessel-like laser beam for homogeneous phases and interface detections	4
Atomistic modeling of lithium materials from deep learning potential with *ab initio* accuracy	4
Unraveling Nonradiative Effects and Reaction Mechanism of Aza-Paternò-Büchi Reaction Catalyzed by a Cu(I) Complex	4
Reactions between HOCO+ and H2 produce water: A computational study	4
Reusable shape-memory amorphous structure color photonic paper for press printing	4
Sum frequency spectroscopy studies on cell membrane fusion induced by divalent cations	4
Studying the Impact of Water on Excited-State Dynamics of 2,5-Dimethylbenzoxazole	4
Zinc phthalocyanine as a promising photosensitizer for triplet-triplet annihilation upconversion	4
Characterization and visible light photocatalytic activity of cucurbit[n]urils/CdS-MoS2	4
Mechanical properties of Al2O3/FeCo interface under magnetic field: A molecular dynamics study	4
Rationally-designed sandwiched nanostructures boosting Fe-N based catalysts toward efficient oxygen reduction electrocatalysis in acidic medium	4
Machine learning-based discovery of metal-organic frameworks for effective iodine capture in nuclear waste management	4
Selective synthesis of bio-based benzaldehyde using magnetic CoFe2O4@Biochar(HTR) catalyst	4
Phase transition and bond symmetrization associated with noble gas bond in XeO3	4
Generalized energy-based fragmentation DLPNO-CCSD(T) approach at complete basis set limit and its application to benzene clusters	4
Exciton and vibrational dynamics of MAu24(SR)18 (M=Pd, Pt) nanoclusters	4
Flexible colloidal quantum dot lasers enabled by self-assembly	4

Chinese Abstracts	4
Adaptability of electron-localization strategy for achieving planar tetracoordination: Nitrogen versus carbon	4
DFT studies of CO reaction behavior on α-Fe2O3(001) oxygen-vacancy surface in chemical looping reforming	4
Machine Learning Predicts Accurate Parameters of the Simplified Tamm-Dancoff Approximation Method for Excited-State Calculations	4
Anisotropic Diffusion of an Isolated Hard Ellipse in a 2D Hard-Disk Bath	4
Chinese Abstracts	4
Advances in component separation methods of lignocellulosic biomass	4
Extension of integral of first passage times towards multi-point polymer adsorption	3
Mechanistic insights into intramolecular energy transfer dynamics in photosensitizers for triplet-triplet annihilation upconversion	3
Bond-selective chemistry: A foundation for bond-selective imaging	3
Crossed-beam studies of aluminum atom cooling via inelastic collisions with O2 molecules	3
Photoelectron spectroscopy and density functional theory calculations of binary Vn C3/− (n = 1 − 6) clusters	3
Insight of excited state dynamics in perylenediimide films with diisopropylphenyl- and undecane- substitution	3
Chinese Abstracts	3
Influence of radio-frequency voltage on electron spin resonance spectroscopy in scanning tunneling microscopy	3
Ab initio Potential Energy Surfaces and Low–Temperature Collisional Dynamics for Rotational De-excitation of HNC and HCN by Ar	3
Anion photoelectron imaging and theoretical study of Cu(CO)3−	3
Mononuclear carbonyl anion complexes of groups IV and V metals	3
Structure and vibrational spectroscopy of 2-methylallyl alcohol	3
RAKAN: An Efficient Residual-Connected Graph Neural Network for Predicting Molecular Potential Energy Based on Attention Mechanism and Kolmogorov-Arnold	3
Tuning gene expression by hairpin elements near the start codon of mRNA in mammalian cells	3
Machine learning density functional compatible with dispersion correction for non-covalent interactions	3
High-resolution photoelectron spectroscopy of cryogenically cooled TiO2CH3OH−: An investigation of methanol splitting by TiO2−/0	3
Quantum dynamics calculations on isotope effects of hydrogen transfer isomerization in formic acid dimer	3
Uncovering self-optimization of single-atom alloy for active CO2 electrochemical reduction reaction	3
Mechanistic investigation on rhodium(III)-catalyzed cycloaddition of 2-vinylphenol derivatives with ethyne or carbon monoxide by DFT study	3
Exploring Bonding Properties, Extraction and Separation Performance of Furan-based N,O-Hybrid Extractants for Am(III) and Eu(III)	3
Theoretical insights into impact of direct transfer coupling on conductance spectrum of diradical molecular junction	3
Enhanced methanol decomposition via metal-support interaction on Ni/CeO2(111) surface	3
Conformational order of spacer cations dictates coherent phonon oscillations in two-dimensional organic-inorganic perovskites	3
Chinese Abstracts	3
Interfacial modification of NiOx by self-assembled monolayer for efficient and stable inverted perovskite solar cells	3
Rejuvenation and memory effects in WCA systems: A free-volume perspective on hierarchical relaxation dynamics	3
Unveiling salt-dependent conformation changes and kinetics of interfacial MicroRNA Let-7c molecules using SFG-VS	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
PyQED: A python framework for ab initio geometric quantum dynamics	3
Modulation of electronic states in bimetallic-doped nitrogen-carbon based nanoparticles for enhanced oxygen reduction kinetics	3
Thermally induced transformation from Cu/FeO/Pt(111) to CuPt3/FeO/Pt(111)	3
Influence of atomistic protrusion on the substrate on molecular luminescence in tunnel junctions	3
Infrared Photodissociation Spectroscopy of D2-tagged Cations Prepared in a Cryogenic Ion Trap	3
Exciton dynamics in edge-on ZnPc-F8ZnPc system: Insights from quantum simulations	3
Collision-induced relaxation of CH(X2∏, υ=0) radical by He, Ar, and N2 under low-temperature supersonic flow condition	3
Theoretical investigations of electrochemical nitrogen reduction on single transition metal atom catalysts supported by 1T-MoSe2	3
Copula approach to exchange-correlation hole in many-electron systems with strong correlations	3
Stability of fluorescence emission from gold nanoclusters and photocatalytic redox on surface	3