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 2022-01-01 to 2026-01-01.)
ArticleCitations
Chinese Abstracts14
A trifluoromethyl-containing pyrrolo[3,2-b]pyrrole photoinitiator with long wavelength in radical photopolymerization under LED irradiation12
Cesium- and Chlorine-Doped MAPbI3 Perovskites under Open-Air Conditions for Efficient and Stable Photovoltaic Devices11
Development and characterization of a narrow-pulsed molecular beam system11
Controllable modulation of morphology and property of CsPbCl3 perovskite microcrystals by vapor deposition method11
Lattice dynamics and thermal conductivity of FeO2 under high pressure and high temperature9
A Tribute to Prof. Fanao Kong9
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
Neural network method for constructing intermolecular potential energy surfaces of van der Waals complexes9
Peltier effect in noninteracting double quantum dots9
Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy8
Investigation of 10 kHz filtered Rayleigh scattering and CH2O planar laser-induced fluorescence measurement in two-stage swirl combustor8
Geometric structures and electronic properties of Co2Ge10−/0: Anion photoelectron spectroscopy and quantum chemistry calculations8
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 Methods8
Doubly charged carbon dioxide produced by electron impact with molecular clusters8
Elimination of buried interface defects for highly efficient and stable wide-bandgap perovskite solar cells7
Configuration Dynamics of Active Polymer Chain with Actively Driven Regions7
Surface synergistic protections on red phosphorus anode material by poly(3,4-ethylenedioxythiophene) coating and electrolyte strategy in sodium ion batteries7
Spectroscopic constants and anharmonic force field of thiocarbonyl thioketen and its isomers: A theoretical study7
Theoretical study on organic photovoltaic heterojunction FTAZ/IDCIC7
Author correction to “Enhanced property of thin cuprous oxide film prepared through green synthetic route”7
Electron energy spectroscopic mapping of surface plasmon by parallel scanning method7
Alternative role of motif B in template dependent polymerase inhibition7
Enhanced crystal quality of perovskite via protonated graphitic carbon nitride added in carbon-based perovskite solar cells7
Chinese Abstracts6
First-principles insights into Ptn/ZnO(0001) catalyst: Regulation of metal-support interaction through surface polarity6
Ionization and dissociation of molecules triggered by intense femtosecond laser pulses6
Tuning Ionic Potential of Metal Fluorides in Solid Polymer Electrolytes for High-Rate Lithium Batteries6
C2-Si: A novel silicon allotrope in monoclinic phase6
Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts6
On-the-fly nonadiabatic dynamics of caffeic acid sunscreen compound6
Theoretical study of proton-coupled electron transfer reaction in metal-hydride complexes6
Theoretical study of configurationally disordered bimetallic surfaces based on machine learning force field aided cluster expansion approach6
Phase Transition of Fe-Co Alloy under Magnetic Field with Machine Learning Force Field5
Electronic couplings for singlet oxygen photosensitization and its molecular orbital overlap description5
Development of a double-well potential upon collisional activation that facilitates proton transfer in 9-methyl-8-oxoguanine-9-methyladenine base-pair radical cation5
Chinese Abstracts5
Revisiting active sites for nitrogen reduction reaction on 2D materials supported metal atoms: A theoretical investigation5
Theoretical identification of key structural factors for strong magnetic anisotropy in Ni(II) complexes5
Parameterization of Reactive Force Field for Thiol Oxidation and Disulfide Linking5
Atomic-level mechanistic insights into carbonate electrolyte degradation on high-voltage LiCoO2 cathodes5
A Novel Raman Spectrometer using Bessel-like Laser Beam for Homogeneous Phases and Interface Detections5
Time-dependent quantum wave packet calculation for reaction S−(2P)+H2(1Σg+)→SH−(1Σ)+H(2S) on ab Initio potential energy surface5
Solvent effect of water on the UV-B absorption of plant sunscreen agents5
Scaling rule, energy distribution and energy level analysis for morse oscillator by virtue of Hermann-Feynman theorem5
Generation of intense terahertz waves and its applications5
Photochemistry of potassium ferrocyanide and its reaction with uridine 5′-monophosphate in aqueous solution under ultraviolet irradiation5
Phototactic poly(N-isopropyl acrylamide) microgels with photoresponsive property5
Chinese Abstracts4
Flexible colloidal quantum dot lasers enabled by self-assembly4
Mechanical properties of Al2O3/FeCo interface under magnetic field: A molecular dynamics study4
DFT studies of CO reaction behavior on α-Fe2O3(001) oxygen-vacancy surface in chemical looping reforming4
Adaptability of electron-localization strategy for achieving planar tetracoordination: Nitrogen versus carbon4
Sum frequency generation vibrational spectra of perovskite nanocrystals at the single-nanocrystal and ensemble levels4
Epitaxial growth of black phosphorene monolayer on ZnO(110) substrate4
Atomistic modeling of lithium materials from deep learning potential with ab initio accuracy4
Machine Learning-based Discovery of Metal-Organic Frameworks for Effective Iodine Capture in Nuclear Waste Management4
Exciton and vibrational dynamics of MAu24(SR)18 (M=Pd, Pt) nanoclusters4
Ion-velocity imaging study of dissociative charge exchange reactions between Ar+ and trans- / cis- 4
Excited-state double proton transfer of 1,8-dihydroxy-2-naphthaldehyde: A MS-CASPT2//CASSCF study4
Characterization and visible light photocatalytic activity of cucurbit[n]urils/CdS-MoS24
Be2H3L2− (L=CH3 and F–I): Hyperhalogen anions with ultrashort beryllium-beryllium distances4
Low-lying isomers of (TiO2)n (n=2−8) clusters4
Effects of intermolecular interactions on luminescence property in organic molecules4
Vibrational resolved photoelectron imaging and theoretical study of the group IVB transition metal oxides anions: MO2− (M=Ti, Zr, and Hf)4
Chinese Abstracts3
Modulation of electronic states in bimetallic-doped nitrogen-carbon based nanoparticles for enhanced oxygen reduction kinetics3
Crossed-beam studies of aluminum atom cooling via inelastic collisions with O2 molecules3
Machine learning density functional compatible with dispersion correction for non-covalent interactions3
K-means find density peaks in molecular conformation clustering3
Unveiling Salt-dependent Conformation Changes and Kinetics of Interfacial MicroRNA Let-7c Molecules using SFG-VS3
Mechanistic investigation on rhodium(III)-catalyzed cycloaddition of 2-vinylphenol derivatives with ethyne or carbon monoxide by DFT study3
Relative molecular orientations in organic optoelectronic films probed via polarization-selected UV/IR mixed frequency ultrafast spectroscopy3
Zinc phthalocyanine as a promising photosensitizer for triplet-triplet annihilation upconversion3
Conformational order of spacer cations dictates coherent phonon oscillations in two-dimensional organic-inorganic perovskites3
Sum frequency spectroscopy studies on cell membrane fusion induced by divalent cations3
Copula approach to exchange-correlation hole in many-electron systems with strong correlations3
Theoretical Insights into Impact of Direct Transfer Coupling on Conductance Spectrum of Diradical Molecular Junction3
Theoretical investigations of electrochemical nitrogen reduction on single transition metal atom catalysts supported by 1T-MoSe23
Exploring Bonding Properties, Extraction and Separation Performance of Furan-based N,O-Hybrid Extractants for Am(III) and Eu(III)3
Uncovering Self-Optimization of Single-Atom Alloy for Active CO2 Electrochemical Reduction Reaction3
Quantum dynamics calculations on isotope effects of hydrogen transfer isomerization in formic acid dimer3
RAKAN: An Efficient Residual-Connected Graph Neural Network for Predicting Molecular Potential Energy Based on Attention Mechanism and Kolmogorov-Arnold3
Mononuclear carbonyl anion complexes of groups IV and V metals3
Anion photoelectron imaging and theoretical study of Cu(CO)3−3
Reactions between HOCO+ and H2 Produce Water: a Computational Study3
Assessment of advanced xDH@B3LYP methods in describing various potential energy curves driven by π-π, CH/π, and SH/π non-bonded interactions3
Structure and vibrational spectroscopy of 2-methylallyl alcohol3
Rejuvenation and Memory Effects in WCA Systems: A Free-Volume Perspective on Hierarchical Relaxation Dynamics3
Generalized energy-based fragmentation DLPNO-CCSD(T) approach at complete basis set limit and its application to benzene clusters3
Stability of fluorescence emission from gold nanoclusters and photocatalytic redox on surface3
Phase transition and bond symmetrization associated with noble gas bond in XeO33
Rationally-designed sandwiched nanostructures boosting Fe-N based catalysts toward efficient oxygen reduction electrocatalysis in acidic medium3
Anisotropic Diffusion of an Isolated Hard Ellipse in a 2D Hard-Disk Bath3
Thermally Induced Transformation from Cu/FeO/Pt(111) to CuPt3/FeO/Pt(111)3
Photoelectron spectroscopy and density functional theory calculations of binary Vn C3/− (n = 1 − 6) clusters3
A mechanistic switch in C−H bond activation by elusive FeV(O)(TAML) reaction intermediate: A theoretical study3
Exciton dynamics in edge-on ZnPc-F8ZnPc system: Insights from quantum simulations3
Effect of solvent polarity on excited-state double proton transfer process of 1,5-dihydroxyanthraquinone3
Chinese Abstracts3
Collision-induced relaxation of CH(X2∏, υ=0) radical by He, Ar, and N2 under low-temperature supersonic flow condition3
Unraveling Nonradiative Effects and Reaction Mechanism of Aza-Paternò-Büchi Reaction Catalyzed by a Cu(I) Complex3
Insight of excited state dynamics in perylenediimide films with diisopropylphenyl- and undecane- substitution3
Influence of radio-frequency voltage on electron spin resonance spectroscopy in scanning tunneling microscopy3
Influence of atomistic protrusion on the substrate on molecular luminescence in tunnel junctions3
Enhanced methanol decomposition via metal-support interaction on Ni/CeO2(111) surface3
Chinese Abstracts3
Reusable Shape-Memory Amorphous Structure Color Photonic Paper for Press Printing3
Non-covalent interaction of heteroaromatic: Rotational spectroscopy of the thiazole-formic acid complex2
Enhanced triplet state of coralyne via DNA-templated gold nanostars2
Fabrication and excellent properties of polyvinylidene fluoride/graphene composite films as thermal interface materials2
Concurrently increasing specific energy and suppressing self-discharge of electrochemical capacitors by complexing carbon nanotubes with redox active units-containing charged copolymers2
Activity and adsorption behavior of oxygen on rutile TiO2(110)2
Integrating Multiple Time Step Method and Implicit Solvent Model for Molecular Dynamics Simulations of Proteins2
The critical role of histidine in copper (II) coordination2
Tuning gene expression by hairpin elements near the start codon of mRNA in mammalian cells2
Donor-Acceptor Engineering in Ca-doped NiOOH as a Stable Electrocatalyst for Urea Oxidation Reaction2
Molecular Dynamics Study of OH-Induced Disintegration of Cu/ZnO Catalysts Based on Machine Learning Potentials2
Effects of coverage, water, and defects on Catechol/TiO2 interface2
A Green and Recyclable Catalytic Pretreatment Strategy for Enhancing Synthesis of Biofuel2
Development of high-resolution photoelectron imaging with dual-reflection time of flight mass analyzer2
Chinese Abstracts2
Enhanced photocatalytic performance of anatase TiO2 by deposition-precipitation treatment2
Chinese Abstracts2
Erratum to “Tunneling electrons triggered energy transfer between coherently coupled donor-acceptor molecules”2
Structural Parameters of Branched Polymers: Incorporation of Kinetic Monte Carlo Simulation with Adjacency Matrix2
Mechanistic study of initial quenching process in photocatalytic α-keto acids radical acylation: A general strategy for enhancing quantum efficiency2
QM/MM study on thermally activated delayed fluorescence mechanism of a three-coordinated Au(I) complex: Key roles of crystal environments2
DFT study on the catalytic role of α-MoC(100) in methanol steam reforming2
Full-dimensional potential energy surfaces of ground (2 A′) and excited (Ã2 A″) electronic States of HCO and absorption spectrum2
Plasmon induced heat funneling from Au to Cu in the bimetallic Au@Cu core-shell nanoparticles2
Recent implementations in kylin 1.3: Improved computational efficiency of ab initio DMRG and a spin-adapted version of EC-MRCI2
Design strategy of polymer matrix to regulate room temperature phosphorescence efficiency2
Basis sets dependency in constructing spectroscopy-accuracy Ab Initio global electric dipole moment functions2
Interfacial modification of NiOx by self-assembled monolayer for efficient and stable inverted perovskite solar cells2
Insight into alkali cation effect on CO2 electroreduction catalyzed by monodispersed Cu-N-C under applied potential2
Turmeric-based green carbon quantum dots for bacterial labeling and cell imaging2
Dynamic intermolecular space for reversible CO2 capture and release2
Solvent-dependent Photophysical Dynamics of Nitro-substituted Triphenylamine: Insights from Spectroscopies and DFT Calculations2
Ultrafast excited-state dynamics of halogen-substituted squarylium: Absence of the heavy-atom effect2
Delocalized π36 bond in OX2 (X=halogen) molecules2
A novel class of phase space representations for the exact population dynamics of two-state quantum systems and the relation to triangle window functions2
15 N/14N isotopic exchange in the dissociative adsorption of N2 on tantalum nitride cluster anions Ta3N3−2
Carrier recombination and diffusion dynamics in LiBr passivated CsPbBr3 perovskite film with poly(9-vinylcarbazole) film underneath2
Transferring graph neural network models for predicting bond dissociation energy between datasets2
Effects of storage time and hydrogen peroxide on the formation of soy globulin 15S in 11S dilute solutions investigated by analytical ultracentrifugation2
Titanium doped nanoporous hematite photoanode modified with NiFeCoAlOOH nanoparticles for efficient photoelectrochemical water splitting2
Frequently Encountered Factors Which Obstruct Evaluation of Intrinsic Kinetics of Hydrogen Electrocatalytic Reaction2
Magnetic property, electronic structure, and cationic dye removal ability of CuCP-MOF2
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
Quantitative measurements of second-order nonlinear susceptibility with collinear reflective second harmonic generation2
Photo-induced ultrafast electron dynamics in anatase and rutile TiO2: Effects of electron-phonon interaction2
Interaction of magnesium ion and acetate anion in bulk water: Toward high-level machine learning potential1
Design and selection of high energy materials based on 4,8-dihydrodifurazano[3,4-b,e]pyrazine1
Crystallographic groups prediction from chemical composition via deep learning1
CO Adsorption Behavior on Au/TiO2 and Associated Size Effects Under the Influence of Ni Contamination1
Primary processes in bacterial reaction center revealed by femtosecond broadband fluorescence spectroscopy1
Fabrication and STM characterization of spiral MoS2-graphene/SiC heterostructure1
Wide-temperature butyronitrile-based electrolyte: Structure dynamics and solvation behavior1
Single silver ions facilitate intramolecular hydrogen atom transfer and C–C bond dissociation of neurotransmitters1
Diol-based Deep Eutectic Solvent for Cellulose Hydrogels from Corncob as Solid Electrolytes for Zinc-Ion Hybrid Supercapacitors1
Statistical and Molecular Perspectives on Foam Stability: Structure-Property Relationships of Trimethylammonium Bromide at Interfaces1
Ultrafast decay dynamics of 2-hydroxypyridine excited to S1 electronic state1
Detailed Mechanism Investigation of Nitrate Reduction Reaction on Single-atom Catalysts Supported on 3N-coordinated Nitrogen-doped Graphene1
Sequence-independent CRISPR-based transcription regulators responding endogenous and exogenous molecules1
Theoretical Study of Dehydrogenation Reaction Mechanism on Cu10, Au10, Au8Cu2, or Cu1/Au8Cu2/TiO2 Surfaces1
Preparation and Electrochemical Performance of N-Doped Carbon Nanospheres Supported Multiple Transition Metal Sulfides Electrocatalyst1
Theoretical description of water from single-molecule to condensed phase: Recent progress on potential energy surfaces and molecular dynamics1
Investigation of ultrafast photoisomerization dynamics of azobenzene derivative (E)-1-phenyl-2-((triisopropylsilyl)ethynyl)diazene1
Saturated absorption spectroscopy of methane around 1667 nm1
Theoretical screening of transition metal single atoms anchored on γ-graphyne as electrocatalysts for nitrogen reduction reaction1
Ab initiononadiabatic dynamics of semiconductor materials via surface hopping method1
Product vibrational state distributions of F+CH3OH reaction on full-dimensional accurate potential energy surface1
Polydopamine anchored poly(2-methyl-2-oxazoline)/poly(4-vinyl pyridine) mixed brushes with switchable properties for pepsin adsorption1
Quantum dynamics of complex systems1
Ten-dimensional quantum dynamics study of H+CH3D → H2+CH2D reaction1
Behavior characterization of hydrogen species on ZnO electrode during electrolytic reduction of water1
Six-dimensional state-to-state quantum dynamics of H2/D2 scattering from Cu(100): Validity of site-averaging model1
Role of Polaron Spin State in Chirality-Induced Spin Selectivity1
Formation of multiple quantum wells m 2D/3D perovskite heterostructures invalidates phonon bottleneck effect1
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
Signatures for coexistence of monoclinic and hexagonal phases in GaTe nanoflakes1
Light- and thermal-driven gold-catalyzed reaction of o-alkynylphenols with aryldiazonium salts: Computational insights into mechanistic similarities and differences1
First-principles study of blue phosphorene and graphene intralayer heterostructure as anode materials for rechargeable Li-ion batteries1
Removing Fermi resonance through deuterated molecules with single C–H bond in C–H stretching region of Raman spectra1
Unraveling ethylene carbonate-propylene carbonate disparity at electrode interface using femtosecond sum frequency generation vibrational spectroscopy1
Excited-state proton transfer dynamics of fisetin in acetonitrile and methanol1
Probing Vibronic Coupling in Molecular Oligomers with 1−0 Resonance Tip-Enhanced Raman Spectroscopy1
Effects of reagent rotational excitation on OH+HCI→CI+H2O reaction1
Vacuum ultraviolet free-electron laser photoionization mass spectrometry of alpha-pinene ozonolysis1
Water-resistant and stretchable conductive ionic hydrogel fibers reinforced by carboxymethyl cellulose1
Regulation of excited-state intramolecular proton transfer process and photophysical properties for benzoxazole isothiocyanate fluorescent dyes by changing atomic electronegativity1
Experimental observation of fine secular frequency resonance oscillation with a rectilinear ion trap mass spectrometer1
Controlling decomposition reaction pathways of novel primary explosives at electronic structure level1
Methane activation by closed-shell tantalum sulfide anions TaS3−1
An apparatus for investigating the kinetics of plasmonic catalysis1
Effect of surface oxygen on dissociation of methane on Cu(100)1
Ultrafast proton coupled electron transfer between tryptophan and tyrosine in peptides Trp-Pron-Tyr1
Chinese Abstracts1
Chinese Abstracts1
Role of Chromogenic Aryl Group Orientation in Regioisomeric Oxazine Mechanochromism1
Design strategy of infrared 4-hydroxybenzylidene-imidazolinone-type chromophores based on intramolecular charge transfer: A theoretical perspective1
High-Throughput Screening of 2D Dielectric Layers for H-Terminated Diamond Metal-Oxide-Semiconductor Field-Effect Transistors1
First-principles thermodynamics study of CO/OH induced disintegration of precious metal nanoparticles on TiO2(110)1
Photodissociation dynamics of nitrous oxide: The O(1D)+N2(X1Σg+) product channel1
Dissociative photoionization ofm-xylene1
Excitation symmetry and origin of dark states in π-conjugated molecules1
Enhanced oxygen evolution reaction performance by dynamic adsorption of intermediates on C2N-supported single atom catalysts1
Photodissociation dynamics of H2S+ near 325 nm1
A plasma injection ion source for photoelectron imaging of metal-containing anions1
Identifying intermediates of oxygen reduction reaction on nitrogen-doped fullerene by high-resolution tip-enhanced Raman scattering1
Tunneling electrons triggered energy transfer between coherently coupled donor-acceptor molecules1
Photoluminescence enhancement of aluminum ion intercalated MoS2 quantum dots1
Suppression of non-radiative recombination with efficient doping of Spiro-OMeTAD for high-performance perovskite solar cells1
A Tribute to Professor Xingxiao Ma1
Investigation of ultrafast excited-state dynamics of 3-furfural1
Spectroscopic identification and bonding properties of HNCOCa+: A matrix isolation and computational study1
Fast fabrication and judgement of tip-enhanced Raman spectroscopy-active tips1
Absolute cross sections for direct and dissociative ionizations of oxygen molecule measured by 350–8000 eV electron impact1
Protein templated Au-CuO bimetallic nanoclusters toward neutral glucose sensing1
Coverage dependent dissociative adsorption of HCl on Au(111)1
Insights into syngas to methanol conversion on Cr2O3 oxide from first-principles-based microkinetic simulations1
Vibrational state distribution of cations induced by tunneling ionization of carbon monoxide in femtosecond strong laser fields1
∧-type doublets and lifetime broadening in the B2Π–X2Π electronic origin band of C6H1
Kinetics and dynamics of the H(2S) + NO(X2Π) → N(4S) + OH(X2Π) reaction: A quasi-classical trajectory study1
Theoretical study on CO2 hydrogenation on In2O3(111) supported single-atom catalysts: Horiuti-polanyi versus non-horiuti-polanyi mechanism1
Investigation on binding between cations and amides using UV Raman spectroscopy1
Recent advances in analyzing protein and peptide structures at interfaces using vibrational sum-frequency generation1
Author correction to “Saturated cavity ring-down spectroscopy of 12C16O2 near 1.57 μm”1
Insights into interface mechanism of three typical antibiotics onto the graphene oxide/chitosan composite: Experimental and theoretical investigation0
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
Exploration of earth-abundant transition metals (Fe, Co, Ni) doped on W18O49 system as electrocatalysts for urea productiont0
A fitting program for structural determination of molecular clusters from rotational spectroscopy0
High resolution laser excitation spectra and Franck-Condon factors of A2Π−X2Σ+ electronic transition of MgF0
Ru/Ir on Fe2O3 as an Efficient Catalyst for Preferential Oxidation of CO towards Hydrogen Purification0
Development and application of ultrafast circular dichroism spectroscopy techniques0
Molecular dynamics simulation of typical molecular ferroelectrics based on polarized crystal charge model0
Improved surface acidity of niobium doped tungstated-zirconia solid acid catalyst over production of 5-hydroxymethylfurfural0
Oxygen reduction reaction activity of Fe-based dual-atom catalysts with different local configurations via graph neural representation0
Chinese Abstracts0
Structural Features of Liquid DMSO from Temperature-Dependent Raman Spectroscopy and Theoretical Calculations0
Vibrational mode selectivity in dissociative ionization of 2-ethoxyethanol: An IR-VUV NRIFD-IR spectroscopic study0
Energy-transfer in CsPbBr3 nanocrystals: Sensitization of porphyrin triplets0
Nonlocal Density Descriptor for Machine-Learning-Corrected Density Functional0
Analysis of the impacts of reactant molecular beam velocity spreads on product velocity resolution in crossed beam experiments0
Rovibronic spectrum of PbS in 19520–22900 cm−10
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