Chinese Journal of Chemical Physics

Papers
(The median citation count of Chinese Journal of Chemical Physics is 0. 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 2022-05-01 to 2026-05-01.)
ArticleCitations
Cesium- and Chlorine-Doped MAPbI3 Perovskites under Open-Air Conditions for Efficient and Stable Photovoltaic Devices11
Controllable modulation of morphology and property of CsPbCl3 perovskite microcrystals by vapor deposition method11
A trifluoromethyl-containing pyrrolo[3,2-b]pyrrole photoinitiator with long wavelength in radical photopolymerization under LED irradiation11
Chinese Abstracts11
Lattice dynamics and thermal conductivity of FeO2 under high pressure and high temperature10
Variational quantum simulation of dynamical quantum phase transition in Markovian open quantum systems9
Identification of Amide Oxygen as First Protonation Site in Gaseous Short Peptides: Theoretical Evidence from a First-Principles Study9
A Tribute to Prof. Fanao Kong9
Development and characterization of a narrow-pulsed molecular beam system9
Geometric structures and electronic properties of Co2Ge10−/0: Anion photoelectron spectroscopy and quantum chemistry calculations9
Neural network method for constructing intermolecular potential energy surfaces of van der Waals complexes9
Doubly charged carbon dioxide produced by electron impact with molecular clusters9
Conformational analysis and vibrational spectroscopy of neutral and cationic monoethanolamine8
Elimination of buried interface defects for highly efficient and stable wide-bandgap perovskite solar cells8
Spectroscopic constants and anharmonic force field of thiocarbonyl thioketen and its isomers: A theoretical study8
Surface synergistic protections on red phosphorus anode material by poly(3,4-ethylenedioxythiophene) coating and electrolyte strategy in sodium ion batteries7
Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy7
Investigation of 10 kHz filtered Rayleigh scattering and CH2O planar laser-induced fluorescence measurement in two-stage swirl combustor7
Chinese Abstracts6
Alternative role of motif B in template dependent polymerase inhibition6
Theoretical study on organic photovoltaic heterojunction FTAZ/IDCIC6
Theoretical study of configurationally disordered bimetallic surfaces based on machine learning force field aided cluster expansion approach6
A catalytic system for preparation of diazomethylenephosphoranes R3P = C = N2 from mixed phosphonium-sulfonium bisylide R3P = C = SPh2 and N26
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 methods6
Theoretical study of proton-coupled electron transfer reaction in metal-hydride complexes6
Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts6
Tuning Ionic Potential of Metal Fluorides in Solid Polymer Electrolytes for High-Rate Lithium Batteries6
Electron energy spectroscopic mapping of surface plasmon by parallel scanning method6
Peltier effect in noninteracting double quantum dots6
First-principles insights into Ptn/ZnO(0001) catalyst: Regulation of metal-support interaction through surface polarity6
Author correction to “Enhanced property of thin cuprous oxide film prepared through green synthetic route”5
Configuration Dynamics of Active Polymer Chain with Actively Driven Regions5
Theoretical identification of key structural factors for strong magnetic anisotropy in Ni(II) complexes5
Scaling rule, energy distribution and energy level analysis for morse oscillator by virtue of Hermann-Feynman theorem5
KSSOLV-GPU 2.0: A Lightweight MATLAB Toolbox for GPU-Accelerated Plane-Wave Hybrid Functional and Spin-Polarized Density Functional Theory Calculations5
Ionization and dissociation of molecules triggered by intense femtosecond laser pulses5
Solvent effect of water on the UV-B absorption of plant sunscreen agents5
Development of a double-well potential upon collisional activation that facilitates proton transfer in 9-methyl-8-oxoguanine-9-methyladenine base-pair radical cation5
C2-Si: A novel silicon allotrope in monoclinic phase5
On-the-fly nonadiabatic dynamics of caffeic acid sunscreen compound5
Parameterization of Reactive Force Field for Thiol Oxidation and Disulfide Linking5
Sum frequency generation vibrational spectra of perovskite nanocrystals at the single-nanocrystal and ensemble levels4
Ion-velocity imaging study of dissociative charge exchange reactions between Ar+ and trans- / cis- 4
Chinese Abstracts4
Adaptability of electron-localization strategy for achieving planar tetracoordination: Nitrogen versus carbon4
Phototactic poly(N-isopropyl acrylamide) microgels with photoresponsive property4
Atomic-level mechanistic insights into carbonate electrolyte degradation on high-voltage LiCoO2 cathodes4
A Novel Raman Spectrometer using Bessel-like Laser Beam for Homogeneous Phases and Interface Detections4
Phase Transition of Fe-Co Alloy under Magnetic Field with Machine Learning Force Field4
Quantum Interference Between H(1s)+H(2s) and H(1s)+H(2p) Channels in Photodissociation of H 2 ( J 4
Epitaxial growth of black phosphorene monolayer on ZnO(110) substrate4
Flexible colloidal quantum dot lasers enabled by self-assembly4
Chinese Abstracts4
Revisiting active sites for nitrogen reduction reaction on 2D materials supported metal atoms: A theoretical investigation4
Chinese Abstracts4
Excited-state double proton transfer of 1,8-dihydroxy-2-naphthaldehyde: A MS-CASPT2//CASSCF study4
Extended dissipaton theory for higher-order bath couplings and application to non-condon spectroscopy with anharmonicity4
Characterization and visible light photocatalytic activity of cucurbit[n]urils/CdS-MoS24
Vibrational resolved photoelectron imaging and theoretical study of the group IVB transition metal oxides anions: MO2− (M=Ti, Zr, and Hf)4
Photochemistry of potassium ferrocyanide and its reaction with uridine 5′-monophosphate in aqueous solution under ultraviolet irradiation4
Mononuclear Nickel Complexes for CO 2 Photoreduction4
Generation of intense terahertz waves and its applications4
Generalized energy-based fragmentation DLPNO-CCSD(T) approach at complete basis set limit and its application to benzene clusters3
Advances in component separation methods of lignocellulosic biomass3
Rationally-designed sandwiched nanostructures boosting Fe-N based catalysts toward efficient oxygen reduction electrocatalysis in acidic medium3
Unraveling Nonradiative Effects and Reaction Mechanism of Aza-Paternò-Büchi Reaction Catalyzed by a Cu(I) Complex3
Studying the Impact of Water on Excited-State Dynamics of 2,5-Dimethylbenzoxazole3
Copula approach to exchange-correlation hole in many-electron systems with strong correlations3
Exciton and vibrational dynamics of MAu24(SR)18 (M=Pd, Pt) nanoclusters3
Stability of fluorescence emission from gold nanoclusters and photocatalytic redox on surface3
Uncovering Self-Optimization of Single-Atom Alloy for Active CO2 Electrochemical Reduction Reaction3
Exploring Bonding Properties, Extraction and Separation Performance of Furan-based N,O-Hybrid Extractants for Am(III) and Eu(III)3
Ab initio Potential Energy Surfaces and Low–Temperature Collisional Dynamics for Rotational De-excitation of HNC and HCN by Ar3
Mechanistic investigation on rhodium(III)-catalyzed cycloaddition of 2-vinylphenol derivatives with ethyne or carbon monoxide by DFT study3
Machine Learning Predicts Accurate Parameters of the Simplified Tamm-Dancoff Approximation Method for Excited-State Calculations3
Selective synthesis of bio-based benzaldehyde using magnetic CoFe2O4@Biochar(HTR) catalyst3
Atomistic modeling of lithium materials from deep learning potential with ab initio accuracy3
Theoretical Insights into Impact of Direct Transfer Coupling on Conductance Spectrum of Diradical Molecular Junction3
Influence of radio-frequency voltage on electron spin resonance spectroscopy in scanning tunneling microscopy3
Sum frequency spectroscopy studies on cell membrane fusion induced by divalent cations3
Exciton dynamics in edge-on ZnPc-F8ZnPc system: Insights from quantum simulations3
DFT studies of CO reaction behavior on α-Fe2O3(001) oxygen-vacancy surface in chemical looping reforming3
Structure and vibrational spectroscopy of 2-methylallyl alcohol3
Be2H3L2− (L=CH3 and F–I): Hyperhalogen anions with ultrashort beryllium-beryllium distances3
Insight of excited state dynamics in perylenediimide films with diisopropylphenyl- and undecane- substitution3
Rejuvenation and Memory Effects in WCA Systems: A Free-Volume Perspective on Hierarchical Relaxation Dynamics3
Mononuclear carbonyl anion complexes of groups IV and V metals3
Enhanced methanol decomposition via metal-support interaction on Ni/CeO2(111) surface3
Photoelectron spectroscopy and density functional theory calculations of binary Vn C3/− (n = 1 − 6) clusters3
Chinese Abstracts3
Anisotropic Diffusion of an Isolated Hard Ellipse in a 2D Hard-Disk Bath3
Reusable shape-memory amorphous structure color photonic paper for press printing3
Phase transition and bond symmetrization associated with noble gas bond in XeO33
Conformational order of spacer cations dictates coherent phonon oscillations in two-dimensional organic-inorganic perovskites3
Mechanical properties of Al2O3/FeCo interface under magnetic field: A molecular dynamics study3
Modulation of electronic states in bimetallic-doped nitrogen-carbon based nanoparticles for enhanced oxygen reduction kinetics3
Machine Learning-based Discovery of Metal-Organic Frameworks for Effective Iodine Capture in Nuclear Waste Management3
Chinese Abstracts3
Influence of atomistic protrusion on the substrate on molecular luminescence in tunnel junctions3
Thermally Induced Transformation from Cu/FeO/Pt(111) to CuPt3/FeO/Pt(111)3
Chinese Abstracts3
Theoretical investigations of electrochemical nitrogen reduction on single transition metal atom catalysts supported by 1T-MoSe23
Reactions between HOCO+ and H2 produce water: A computational study3
Zinc phthalocyanine as a promising photosensitizer for triplet-triplet annihilation upconversion3
DFT study on the catalytic role of α-MoC(100) in methanol steam reforming2
Erratum to “Tunneling electrons triggered energy transfer between coherently coupled donor-acceptor molecules”2
Effects of coverage, water, and defects on Catechol/TiO2 interface2
Chinese Abstracts2
Recent implementations in kylin 1.3: Improved computational efficiency of ab initio DMRG and a spin-adapted version of EC-MRCI2
Delocalized π36 bond in OX2 (X=halogen) molecules2
Ultrafast excited-state dynamics of halogen-substituted squarylium: Absence of the heavy-atom effect2
Transferring graph neural network models for predicting bond dissociation energy between datasets2
Dynamic Role of Conical Intersection Topographies in Nonadiabatic Photodissociation of 2-Substituted Thiophenols2
Solvent-dependent Photophysical Dynamics of Nitro-substituted Triphenylamine: Insights from Spectroscopies and DFT Calculations2
RAKAN: An Efficient Residual-Connected Graph Neural Network for Predicting Molecular Potential Energy Based on Attention Mechanism and Kolmogorov-Arnold2
Concurrently increasing specific energy and suppressing self-discharge of electrochemical capacitors by complexing carbon nanotubes with redox active units-containing charged copolymers2
Mechanistic insights into intramolecular energy transfer dynamics in photosensitizers for triplet-triplet annihilation upconversion2
Unraveling interactions and catalytic mechanisms of ionic liquid [Bmim][BF4] and styrene oxide using sum frequency spectroscopy2
Collision-induced relaxation of CH(X2∏, υ=0) radical by He, Ar, and N2 under low-temperature supersonic flow condition2
Plasmon induced heat funneling from Au to Cu in the bimetallic Au@Cu core-shell nanoparticles2
Assessment of advanced xDH@B3LYP methods in describing various potential energy curves driven by π-π, CH/π, and SH/π non-bonded interactions2
High-resolution photoelectron spectroscopy of cryogenically cooled TiO2CH3OH−: An investigation of methanol splitting by TiO2−/02
Molecular Dynamics Study of OH-Induced Disintegration of Cu/ZnO Catalysts Based on Machine Learning Potentials2
Structural parameters of branched polymers: Incorporation of kinetic Monte Carlo simulation with adjacency matrix2
Magnetic property, electronic structure, and cationic dye removal ability of CuCP-MOF2
Mechanistic study of initial quenching process in photocatalytic α-keto acids radical acylation: A general strategy for enhancing quantum efficiency2
Insight into alkali cation effect on CO2 electroreduction catalyzed by monodispersed Cu-N-C under applied potential2
Fabrication and excellent properties of polyvinylidene fluoride/graphene composite films as thermal interface materials2
Enhanced triplet state of coralyne via DNA-templated gold nanostars2
The critical role of histidine in copper (II) coordination2
Effects of storage time and hydrogen peroxide on the formation of soy globulin 15S in 11S dilute solutions investigated by analytical ultracentrifugation2
A green and recyclable catalytic pretreatment strategy for enhancing synthesis of biofuel2
Interfacial modification of NiOx by self-assembled monolayer for efficient and stable inverted perovskite solar cells2
Carrier recombination and diffusion dynamics in LiBr passivated CsPbBr3 perovskite film with poly(9-vinylcarbazole) film underneath2
Crossed-beam studies of aluminum atom cooling via inelastic collisions with O2 molecules2
QM/MM study on thermally activated delayed fluorescence mechanism of a three-coordinated Au(I) complex: Key roles of crystal environments2
Unveiling Salt-dependent Conformation Changes and Kinetics of Interfacial MicroRNA Let-7c Molecules using SFG-VS2
Quantitative measurements of second-order nonlinear susceptibility with collinear reflective second harmonic generation2
Extension of integral of first passage times towards multi-point polymer adsorption2
A novel class of phase space representations for the exact population dynamics of two-state quantum systems and the relation to triangle window functions2
Activity and adsorption behavior of oxygen on rutile TiO2(110)2
Tuning gene expression by hairpin elements near the start codon of mRNA in mammalian cells2
An apparatus for investigating the kinetics of plasmonic catalysis2
Frequently Encountered Factors Which Obstruct Evaluation of Intrinsic Kinetics of Hydrogen Electrocatalytic Reaction2
Non-covalent interaction of heteroaromatic: Rotational spectroscopy of the thiazole-formic acid complex2
Integrating Multiple Time Step Method and Implicit Solvent Model for Molecular Dynamics Simulations of Proteins2
Development of high-resolution photoelectron imaging with dual-reflection time of flight mass analyzer2
Bond-selective chemistry: A foundation for bond-selective imaging2
Titanium doped nanoporous hematite photoanode modified with NiFeCoAlOOH nanoparticles for efficient photoelectrochemical water splitting2
Quantum dynamics calculations on isotope effects of hydrogen transfer isomerization in formic acid dimer2
Donor-Acceptor Engineering in Ca-doped NiOOH as a Stable Electrocatalyst for Urea Oxidation Reaction2
PyQED: A Python Framework for Ab Initio Geometric Quantum Dynamics2
Chinese Abstracts2
Machine learning density functional compatible with dispersion correction for non-covalent interactions2
Design strategy of polymer matrix to regulate room temperature phosphorescence efficiency2
Anion photoelectron imaging and theoretical study of Cu(CO)3−2
Turmeric-based green carbon quantum dots for bacterial labeling and cell imaging2
Threshold Behavior of Quasi-Ballistic Transport in Ultrafast Depletion-Field Dynamics at a GaAs Subsurface2
Dissociative photoionization ofm-xylene1
Excitation symmetry and origin of dark states in π-conjugated molecules1
Theoretical Investigation of High-Performance Pure Red Multiple Resonance Thermally Activated Delayed Fluorescence Organic Lasers with Suppressed Efficiency Roll-Off1
Enhanced oxygen evolution reaction performance by dynamic adsorption of intermediates on C2N-supported single atom catalysts1
A plasma injection ion source for photoelectron imaging of metal-containing anions1
Ultrafast proton coupled electron transfer between tryptophan and tyrosine in peptides Trp-Pron-Tyr1
Wide-temperature butyronitrile-based electrolyte: Structure dynamics and solvation behavior1
Fast fabrication and judgement of tip-enhanced Raman spectroscopy-active tips1
Diol-based deep eutectic solvent for cellulose hydrogels from corncob as solid electrolytes for zinc-ion hybrid supercapacitors1
Unraveling ethylene carbonate-propylene carbonate disparity at electrode interface using femtosecond sum frequency generation vibrational spectroscopy1
Light- and thermal-driven gold-catalyzed reaction of o-alkynylphenols with aryldiazonium salts: Computational insights into mechanistic similarities and differences1
Design strategy of infrared 4-hydroxybenzylidene-imidazolinone-type chromophores based on intramolecular charge transfer: A theoretical perspective1
Role of Chromogenic Aryl Group Orientation in Regioisomeric Oxazine Mechanochromism1
Sequence-independent CRISPR-based transcription regulators responding endogenous and exogenous molecules1
Theoretical screening of transition metal single atoms anchored on γ-graphyne as electrocatalysts for nitrogen reduction reaction1
Dynamic intermolecular space for reversible CO2 capture and release1
Controlling decomposition reaction pathways of novel primary explosives at electronic structure level1
Chinese Abstracts1
Effects of reagent rotational excitation on OH+HCI→CI+H2O reaction1
Preparation and electrochemical performance of N-doped carbon nanospheres supported multiple transition metal sulfides electrocatalyst1
Investigation of ultrafast photoisomerization dynamics of azobenzene derivative (E)-1-phenyl-2-((triisopropylsilyl)ethynyl)diazene1
Crystallographic groups prediction from chemical composition via deep learning1
Quantum dynamics of complex systems1
Probing Protein-Ligand Unbinding Kinetics with Temperature-Coupled Molecular Dynamics1
Time-Resolved Study of Vacuum Ultraviolet Excited State Dynamics in Pyrrole Using 160 nm Femtosecond Laser Pulses Generated by Four-Wave Mixing in Argon1
Surface Au Doping Enhances Activity and Stability of PtCo Alloy for Oxygen Reduction Reaction: Insights from In Situ Characterization1
Nitrate reduction reaction on single-atom catalysts supported on 3N-coordinated nitrogen-doped graphene1
High-Throughput Screening of 2D Dielectric Layers for H-Terminated Diamond Metal-Oxide-Semiconductor Field-Effect Transistors1
Chinese Abstracts1
CO Adsorption Behavior on Au/TiO2 and Associated Size Effects Under the Influence of Ni Contamination1
First-principles study of blue phosphorene and graphene intralayer heterostructure as anode materials for rechargeable Li-ion batteries1
First-principles thermodynamics study of CO/OH induced disintegration of precious metal nanoparticles on TiO2(110)1
Photodissociation dynamics of H2S+ near 325 nm1
Retraction: “Role of Polaron Spin State in Chirality-Induced Spin Selectivity”1
Removing Fermi resonance through deuterated molecules with single C–H bond in C–H stretching region of Raman spectra1
Statistical and Molecular Perspectives on Foam Stability: Structure-Property Relationships of Trimethylammonium Bromide at Interfaces1
Identifying intermediates of oxygen reduction reaction on nitrogen-doped fullerene by high-resolution tip-enhanced Raman scattering1
Investigation of ultrafast excited-state dynamics of 3-furfural1
Tunneling electrons triggered energy transfer between coherently coupled donor-acceptor molecules1
Recent advances in analyzing protein and peptide structures at interfaces using vibrational sum-frequency generation1
Water-resistant and stretchable conductive ionic hydrogel fibers reinforced by carboxymethyl cellulose1
Effect of surface oxygen on dissociation of methane on Cu(100)1
Enhanced photocatalytic performance of anatase TiO2 by deposition-precipitation treatment1
Design and selection of high energy materials based on 4,8-dihydrodifurazano[3,4-b,e]pyrazine1
Theoretical study on CO2 hydrogenation on In2O3(111) supported single-atom catalysts: Horiuti-polanyi versus non-horiuti-polanyi mechanism1
Photoluminescence enhancement of aluminum ion intercalated MoS2 quantum dots1
Fabrication and STM characterization of spiral MoS2-graphene/SiC heterostructure1
Methane activation by closed-shell tantalum sulfide anions TaS3−1
Formation of multiple quantum wells m 2D/3D perovskite heterostructures invalidates phonon bottleneck effect1
Insights into syngas to methanol conversion on Cr2O3 oxide from first-principles-based microkinetic simulations1
Theoretical study of hydrogen-bond interactions of CO2 in organic absorbent 1,3-diphenylguanidine1
Comparative analysis of hydration layer reorientation dynamics of antifreeze protein and protein cytochrome P4501
Structure of Water Molecules at Pt Electrode/Electrolyte Interface Probed by Heterodyne-Detected Second Harmonic Generation1
Signatures for coexistence of monoclinic and hexagonal phases in GaTe nanoflakes1
Suppression of non-radiative recombination with efficient doping of Spiro-OMeTAD for high-performance perovskite solar cells1
Behavior characterization of hydrogen species on ZnO electrode during electrolytic reduction of water1
Spectroscopic identification and bonding properties of HNCOCa+: A matrix isolation and computational study1
Author correction to “Saturated cavity ring-down spectroscopy of 12C16O2 near 1.57 μm”1
Excited-state proton transfer dynamics of fisetin in acetonitrile and methanol1
Investigation on binding between cations and amides using UV Raman spectroscopy1
Theoretical Insights into Heteroatom Substitution Engineering for Modulating the Luminescence Performance of Second Near-Infrared Fluorophores1
Probing Vibronic Coupling in Molecular Oligomers with 1−0 Resonance Tip-Enhanced Raman Spectroscopy1
Protein templated Au-CuO bimetallic nanoclusters toward neutral glucose sensing1
A Tribute to Professor Xingxiao Ma1
Cavity-enhanced excitation of molecules with continuous-wave lasers1
Theoretical study of energy transfer between CO and CO2 based on full-dimensional potential energy surface1
Saturated absorption spectroscopy of methane around 1667 nm1
Vibrational state distribution of cations induced by tunneling ionization of carbon monoxide in femtosecond strong laser fields1
Theoretical Study of Dehydrogenation Reaction Mechanism on Cu10, Au10, Au8Cu2, or Cu1/Au8Cu2/TiO2 Surfaces1
Experimental observation of fine secular frequency resonance oscillation with a rectilinear ion trap mass spectrometer1
Single silver ions facilitate intramolecular hydrogen atom transfer and C–C bond dissociation of neurotransmitters1
Interaction of magnesium ion and acetate anion in bulk water: Toward high-level machine learning potential1
Measuring reaction rates for heterogeneous catalysis1
Primary processes in bacterial reaction center revealed by femtosecond broadband fluorescence spectroscopy1
Photodissociation dynamics of nitrous oxide: The O(1D)+N2(X1Σg+) product channel1
Absolute cross sections for direct and dissociative ionizations of oxygen molecule measured by 350–8000 eV electron impact1
Energy-transfer in CsPbBr3 nanocrystals: Sensitization of porphyrin triplets0
A fitting program for structural determination of molecular clusters from rotational spectroscopy0
Ru/Ir on Fe2O3 as an efficient catalyst for preferential oxidation of CO towards hydrogen purification0
Structural Features of Liquid DMSO from Temperature-Dependent Raman Spectroscopy and Theoretical Calculations0
Semi-Empirical model to retrieve finite temperature terahertz absorption spectra using Morse potential0
Imaging ultraviolet light-induced oxygen vacancy diffusion on TiO2(110) surface0
Theoretical studies on stability of oxygen-evolving center model complex Mn4CaO4 in oxidative condition0
Chinese Abstracts0
Dissociation mechanism of inactive NLRP3 assembly revealed by protein-protein binding free-energy calculations0
Boosting Bisphenol A Degradation through Activation of Persulfate by Iron-doped γ-MnO20
Molecular dynamics simulation of typical molecular ferroelectrics based on polarized crystal charge model0
Exploration of earth-abundant transition metals (Fe, Co, Ni) doped on W18O49 system as electrocatalysts for urea productiont0
Development and application of ultrafast circular dichroism spectroscopy techniques0
Chinese Abstracts0
Nonlocal Density Descriptor for Machine-Learning-Corrected Density Functional0
Vibrational mode selectivity in dissociative ionization of 2-ethoxyethanol: An IR-VUV NRIFD-IR spectroscopic study0
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