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 2021-06-01 to 2025-06-01.)
ArticleCitations
Lattice Dynamics and Thermal Conductivity of FeO2 under High Pressure and High Temperature26
Development and characterization of a narrow-pulsed molecular beam system17
Chinese Abstracts14
Ligand binding and release investigated by contact-guided iterative multiple independent molecular dynamics simulations13
A Trifluoromethyl-Containing Pyrrolo[3,2-b]pyrrole Photoinitiator with Long Wavelength in Radical Photopolymerization under LED Irradiation12
Controllable modulation of morphology and property of CsPbCl3 perovskite microcrystals by vapor deposition method12
Peltier effect in noninteracting double quantum dots11
Surface synergistic protections on red phosphorus anode material by poly(3,4-ethylenedioxythiophene) coating and electrolyte strategy in sodium ion batteries11
Neural network method for constructing intermolecular potential energy surfaces of van der Waals complexes11
Elimination of buried interface defects for highly efficient and stable wide-bandgap perovskite solar cells10
Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy10
Identification of Amide Oxygen as First Protonation Site in Gaseous Short Peptides: Theoretical Evidence from a First-Principles Study9
Spectroscopic Constants and Anharmonic Force Field of Thiocarbonyl Thioketen and its Isomers: A Theoretical Study9
Investigation of 10 kHz filtered Rayleigh scattering and CH2O planar laser-induced fluorescence measurement in two-stage swirl combustor9
Theoretical study on organic photovoltaic heterojunction FTAZ/IDCIC9
Alternative role of motif B in template dependent polymerase inhibition9
Theoretical study of proton-coupled electron transfer reaction in metal-hydride complexes8
Electron energy spectroscopic mapping of surface plasmon by parallel scanning method8
Enhanced crystal quality of perovskite via protonated graphitic carbon nitride added in carbon-based perovskite solar cells7
Chinese Abstracts7
C2-Si: A novel silicon allotrope in monoclinic phase7
Author correction to “Enhanced property of thin cuprous oxide film prepared through green synthetic route”7
Configuration Dynamics of Active Polymer Chain with Actively Driven Regions7
First-principles insights into Ptn/ZnO(0001) catalyst: Regulation of metal-support interaction through surface polarity7
MLIMC: Machine learning-based implicit-solvent Monte Carlo7
Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts7
On-the-fly nonadiabatic dynamics of caffeic acid sunscreen compound7
Electronic couplings for singlet oxygen photosensitization and its molecular orbital overlap description6
Chinese Abstracts6
Parameterization of Reactive Force Field for Thiol Oxidation and Disulfide Linking6
Sum frequency generation vibrational spectra of perovskite nanocrystals at the single-nanocrystal and ensemble levels6
Development of a double-well potential upon collisional activation that facilitates proton transfer in 9-methyl-8-oxoguanine-9-methyladenine base-pair radical cation6
Coherent vibrational dynamics of [Au25(SR)18]- nanoclusters6
Photocatalytic N2 fixation by plasmonic Mo-doped TiO2 semiconductor6
Scaling Rule, Energy Distribution and Energy Level Analysis for Morse Oscillator by Virtue of Hermann-Feynman Theorem6
Theoretical identification of key structural factors for strong magnetic anisotropy in Ni(II) complexes6
Solvent effect of water on the UV-B absorption of plant sunscreen agents6
Revisiting Active Sites for Nitrogen Reduction Reaction on 2D Materials Supported Metal Atoms: A Theoretical Investigation6
Molecular dynamics insights into electron-catalyzed dissociation repair of cyclobutane pyrimidine dimer6
Time-dependent quantum wave packet calculation for reaction S−(2P)+H2(1Σg+)→SH−(1Σ)+H(2S) on ab Initio potential energy surface5
Chinese Abstracts5
Excited-state double proton transfer of 1,8-dihydroxy-2-naphthaldehyde: A MS-CASPT2//CASSCF study5
Phototactic poly(N-isopropyl acrylamide) microgels with photoresponsive property5
Intra- and intermolecular rovibrational states of HCl-H2O and DCl-H2O dimers from full-dimensional and fully coupled quantum calculations5
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 irradiation5
Ab initio molecular dynamics study of adsorption of hydroxyl groups on graphene surface5
A Novel Raman Spectrometer using Bessel-like Laser Beam for Homogeneous Phases and Interface Detections5
Adaptability of electron-localization strategy for achieving planar tetracoordination: Nitrogen versus carbon4
DFT studies of CO reaction behavior on α-Fe2O3(001) oxygen-vacancy surface in chemical looping reforming4
Reusable Shape-Memory Amorphous Structure Color Photonic Paper for Press Printing4
Chinese Abstracts4
Exciton and vibrational dynamics of MAu24(SR)18 (M=Pd, Pt) nanoclusters4
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-principles4
Flexible colloidal quantum dot lasers enabled by self-assembly4
Be2H3L2− (L=CH3 and F–I): Hyperhalogen anions with ultrashort beryllium-beryllium distances4
Machine Learning-based Discovery of Metal-Organic Frameworks for Effective Iodine Capture in Nuclear Waste Management4
Inhibition mechanism of hydroxyproline-like small inhibitors to disorder HIF-VHL interaction by molecular dynamic simulations and binding free energy calculations4
Atomistic modeling of lithium materials from deep learning potential with ab initio accuracy4
Epitaxial growth of black phosphorene monolayer on ZnO(110) substrate4
Characterization and visible light photocatalytic activity of cucurbit[n]urils/CdS-MoS24
Mechanical Properties of Al2O3/FeCo Interface under Magnetic Field: A Molecular Dynamics Study4
Effects of intermolecular interactions on luminescence property in organic molecules4
Generalized Energy-Based Fragmentation DLPNO-CCSD(T) Approach at Complete Basis Set Limit and Its Application to Benzene Clusters4
Mechanistic investigation on rhodium(III)-catalyzed cycloaddition of 2-vinylphenol derivatives with ethyne or carbon monoxide by DFT study4
Chinese Abstracts4
Low-lying isomers of (TiO2)n (n=2−8) clusters4
Chinese Abstracts3
Insight of excited state dynamics in perylenediimide films with diisopropylphenyl- and undecane- substitution3
Phase transition and bond symmetrization associated with noble gas bond in XeO33
Theoretical investigations of electrochemical nitrogen reduction on single transition metal atom catalysts supported by 1T-MoSe23
Rationally-designed sandwiched nanostructures boosting Fe-N based catalysts toward efficient oxygen reduction electrocatalysis in acidic medium3
Stability of fluorescence emission from gold nanoclusters and photocatalytic redox on surface3
Concentration-dependent influence of silver nanoparticles on amyloid fibrillation kinetics of hen egg-white lysozyme3
Effect of protein dimerization on ion conductivity of gramicidin a channel studied using polarizable force field3
Thermally Induced Transformation from Cu/FeO/Pt(111) to CuPt3/FeO/Pt(111)3
Controlling metalation reaction of phthalocyanine with cobalt at single-molecule level on Au(111) surface3
Theoretical Insights into Impact of Direct Transfer Coupling on Conductance Spectrum of Diradical Molecular Junction3
Thermochromism of 1,4-bis[2-(4-pyridyl)ethenyl]-benzene derivatives3
Aggregation-induced emission with large redshift in 2,7-diphenyl-fluorenone: Reality or artifact?3
Influence of atomistic protrusion on the substrate on molecular luminescence in tunnel junctions3
Structure and vibrational spectroscopy of 2-methylallyl alcohol3
Photoelectron spectroscopy and density functional theory calculations of binary Vn C3/− (n = 1 − 6) clusters3
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
Copula approach to exchange-correlation hole in many-electron systems with strong correlations3
Sum frequency spectroscopy studies on cell membrane fusion induced by divalent cations3
Mononuclear carbonyl anion complexes of groups IV and V metals3
Relative molecular orientations in organic optoelectronic films probed via polarization-selected UV/IR mixed frequency ultrafast spectroscopy3
Assessment of advanced xDH@B3LYP methods in describing various potential energy curves driven by π-π, CH/π, and SH/π non-bonded interactions3
Modulation of electronic states in bimetallic-doped nitrogen-carbon based nanoparticles for enhanced oxygen reduction kinetics3
K-means find density peaks in molecular conformation clustering3
Conformational Order of Spacer Cations Dictates Coherent Phonon Oscillations in Two-dimensional Organic‒Inorganic Perovskites3
Tuning gene expression by hairpin elements near the start codon of mRNA in mammalian cells2
Machine learning density functional compatible with dispersion correction for non-covalent interactions2
Anion photoelectron imaging and theoretical study of Cu(CO)3−2
Magnetic property, electronic structure, and cationic dye removal ability of CuCP-MOF2
DFT study on the catalytic role of α-MoC(100) in methanol steam reforming2
An apparatus for investigating the kinetics of plasmonic catalysis2
Delocalized π36 bond in OX2 (X=halogen) molecules2
Effects of storage time and hydrogen peroxide on the formation of soy globulin 15S in 11S dilute solutions investigated by analytical ultracentrifugation2
Product vibrational state distributions of F+CH3OH reaction on full-dimensional accurate potential energy surface2
Design strategy of polymer matrix to regulate room temperature phosphorescence efficiency2
Transferring graph neural network models for predicting bond dissociation energy between datasets2
A novel class of phase space representations for the exact population dynamics of two-state quantum systems and the relation to triangle window functions2
Chinese Abstracts2
Basis sets dependency in constructing spectroscopy-accuracy Ab Initio global electric dipole moment functions2
Development of high-resolution photoelectron imaging with dual-reflection time of flight mass analyzer2
Effects of coverage, water, and defects on Catechol/TiO2 interface2
Mechanistic insights into intramolecular energy transfer dynamics in photosensitizers for triplet-triplet annihilation upconversion2
A mechanistic switch in C−H bond activation by elusive FeV(O)(TAML) reaction intermediate: A theoretical study2
Carrier recombination and diffusion dynamics in LiBr passivated CsPbBr3 perovskite film with poly(9-vinylcarbazole) film underneath2
Vibrational state distribution of cations induced by tunneling ionization of carbon monoxide in femtosecond strong laser fields2
Unraveling interactions and catalytic mechanisms of ionic liquid [Bmim][BF4] and styrene oxide using sum frequency spectroscopy2
Activity and adsorption behavior of oxygen on rutile TiO2(110)2
Titanium doped nanoporous hematite photoanode modified with NiFeCoAlOOH nanoparticles for efficient photoelectrochemical water splitting2
Chinese Abstracts2
Full-dimensional potential energy surfaces of ground (2 A′) and excited (Ã2 A″) electronic States of HCO and absorption spectrum2
A Green and Recyclable Catalytic Pretreatment Strategy for Enhancing Synthesis of Biofuel2
Recent implementations in LASP 3.0: Global neural network potential with multiple elements and better long-range description2
Plasmon induced heat funneling from Au to Cu in the bimetallic Au@Cu core-shell nanoparticles2
Quantum dynamics calculations on isotope effects of hydrogen transfer isomerization in formic acid dimer2
Erratum to “Tunneling electrons triggered energy transfer between coherently coupled donor-acceptor molecules”2
Effect of solvent polarity on excited-state double proton transfer process of 1,5-dihydroxyanthraquinone2
Interfacial modification of NiOx by self-assembled monolayer for efficient and stable inverted perovskite solar cells2
Concurrently increasing specific energy and suppressing self-discharge of electrochemical capacitors by complexing carbon nanotubes with redox active units-containing charged copolymers2
Fabrication and excellent properties of polyvinylidene fluoride/graphene composite films as thermal interface materials2
Mechanistic study of initial quenching process in photocatalytic α-keto acids radical acylation: A general strategy for enhancing quantum efficiency2
Non-covalent interaction of heteroaromatic: Rotational spectroscopy of the thiazole-formic acid complex2
Choice of force fields and water models for sampling solution conformations of bacteriophage T4 lysozyme2
QM/MM study on thermally activated delayed fluorescence mechanism of a three-coordinated Au(I) complex: Key roles of crystal environments2
15 N/14N isotopic exchange in the dissociative adsorption of N2 on tantalum nitride cluster anions Ta3N3−2
Structural and bonding properties of AlnC4−/0 (n = 2–4) clusters: Anion photoelectron spectroscopy and theoretical calculations2
Turmeric-based Green Carbon Quantum Dots for Bacterial Labeling and Cell Imaging2
Insight into alkali cation effect on CO2 electroreduction catalyzed by monodispersed Cu-N-C under applied potential2
Quantitative measurements of second-order nonlinear susceptibility with collinear reflective second harmonic generation2
H-atom transfer reaction of photoinduced excited triplet duroquinone with tryptophan and tyrosine in acetonitrile-water and ethylene glycol-water homogeneous solutions1
Competition between (18, 18) and (18, 16) configurations in Ni2(CO)5: An isomerization energy decomposition analysis1
Theoretical study of hydrogen-bond interactions of CO2 in organic absorbent 1,3-diphenylguanidine1
Methane activation by closed-shell tantalum sulfide anions TaS3−1
First-principles study of blue phosphorene and graphene intralayer heterostructure as anode materials for rechargeable Li-ion batteries1
Photo-induced ultrafast electron dynamics in anatase and rutile TiO2: Effects of electron-phonon interaction1
Investigation of ultrafast photoisomerization dynamics of azobenzene derivative (E)-1-phenyl-2-((triisopropylsilyl)ethynyl)diazene1
Chinese Abstracts1
Absolute cross sections for direct and dissociative ionizations of oxygen molecule measured by 350–8000 eV electron impact1
Comparative analysis of hydration layer reorientation dynamics of antifreeze protein and protein cytochrome P4501
Evaluating first-order molecular properties of delocalized ionic or excited states in molecular aggregates by renormalized excitonic method1
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
Experimental observation of fine secular frequency resonance oscillation with a rectilinear ion trap mass spectrometer1
Ultrafast decay dynamics of 2-hydroxypyridine excited to S1 electronic state1
First-principles thermodynamics study of CO/OH induced disintegration of precious metal nanoparticles on TiO2(110)1
Kinetics study on reaction of atenolol with singlet oxygen by directly monitoring the 1O2 phosphorescence1
Crystallographic groups prediction from chemical composition via deep learning1
Enhanced oxygen evolution reaction performance by dynamic adsorption of intermediates on C2N-supported single atom catalysts1
Excitation symmetry and origin of dark states in π-conjugated molecules1
Extensive numerical tests of leapfrog integrator in middle thermostat scheme in molecular simulations1
Protein templated Au-CuO bimetallic nanoclusters toward neutral glucose sensing1
Light- and thermal-driven gold-catalyzed reaction of o-alkynylphenols with aryldiazonium salts: Computational insights into mechanistic similarities and differences1
Flexible planar micro-supercapacitors based on carbon nanotubes1
Excited-state proton transfer dynamics of fisetin in acetonitrile and methanol1
Structured eigenvalue problems in electronic structure methods from a unified perspective1
Removing Fermi resonance through deuterated molecules with single C–H bond in C–H stretching region of Raman spectra1
Theoretical description of water from single-molecule to condensed phase: Recent progress on potential energy surfaces and molecular dynamics1
On the bonding nature of noble gas compounds MRg+ and MRgF (M=Co, Rh, Ir; Rg=Ar, Kr, Xe)1
Design and selection of high energy materials based on 4,8-dihydrodifurazano[3,4-b,e]pyrazine1
Suppression of non-radiative recombination with efficient doping of Spiro-OMeTAD for high-performance perovskite solar cells1
Photoluminescence enhancement of aluminum ion intercalated MoS2 quantum dots1
Single silver ions facilitate intramolecular hydrogen atom transfer and C–C bond dissociation of neurotransmitters1
Dynamic intermolecular space for reversible CO2 capture and release1
Adiabatic terminator for fermionic hierarchical equations of motion1
Fabrication and STM Characterization of Spiral MoS2-Graphene/SiC Heterostructure1
Regulation of excited-state intramolecular proton transfer process and photophysical properties for benzoxazole isothiocyanate fluorescent dyes by changing atomic electronegativity1
Kinetics and dynamics of the H(2S) + NO(X2Π) → N(4S) + OH(X2Π) reaction: A quasi-classical trajectory study1
Ten-dimensional quantum dynamics study of H+CH3D → H2+CH2D reaction1
Tunneling electrons triggered energy transfer between coherently coupled donor-acceptor molecules1
Fast fabrication and judgement of tip-enhanced Raman spectroscopy-active tips1
Detailed Mechanism Investigation of Nitrate Reduction Reaction on Single-atom Catalysts Supported on 3N-coordinated Nitrogen-doped Graphene1
Halogen-driven bandgap opening in graphdiyne for overall photocatalytic water splitting1
Coarse-grained molecular dynamics study based on TorchMD1
Photodissociation dynamics of H2S+ near 325 nm1
Six-dimensional state-to-state quantum dynamics of H2/D2 scattering from Cu(100): Validity of site-averaging model1
Water-resistant and stretchable conductive ionic hydrogel fibers reinforced by carboxymethyl cellulose1
Signatures for coexistence of monoclinic and hexagonal phases in GaTe nanoflakes1
Mutants only partially represent characteristics of calcium-release-activated calcium channel gating1
A Tribute to Professor Xingxiao Ma1
Identifying intermediates of oxygen reduction reaction on nitrogen-doped fullerene by high-resolution tip-enhanced Raman scattering1
Saturated absorption spectroscopy of methane around 1667 nm1
Polydopamine anchored poly(2-methyl-2-oxazoline)/poly(4-vinyl pyridine) mixed brushes with switchable properties for pepsin adsorption1
Ultrafast electron transfer in all-small-molecule photovoltaic blends promoted by intermolecular interactions in cyanided donors1
Frequency-stabilized mid-infrared laser source for precision spectroscopy1
Interactions of cationic surfactant cetyl-trimethyl ammonium bromide with ammonium nitrate: Surface and thermodynamic studies1
Author correction to “Saturated cavity ring-down spectroscopy of 12C16O2 near 1.57 μm”1
Interaction of magnesium ion and acetate anion in bulk water: Toward high-level machine learning potential1
Unraveling ethylene carbonate-propylene carbonate disparity at electrode interface using femtosecond sum frequency generation vibrational spectroscopy1
Enhanced photocatalytic performance of anatase TiO2 by deposition-precipitation treatment1
Insights into syngas to methanol conversion on Cr2O3 oxide from first-principles-based microkinetic simulations1
Ab initiononadiabatic dynamics of semiconductor materials via surface hopping method1
Click-formed polymer gels with aggregation-induced emission and dual stimuli-responsive behaviors1
Crystallographic and morphological sensitivity of N2 activation over ruthenium1
Theoretical study on CO2 hydrogenation on In2O3(111) supported single-atom catalysts: Horiuti-polanyi versus non-horiuti-polanyi mechanism1
Sequence-Independent CRISPR-Based Transcription Regulators Responding Endogenous and Exogenous Molecules1
Design strategy of infrared 4-hydroxybenzylidene-imidazolinone-type chromophores based on intramolecular charge transfer: A theoretical perspective1
Preparation and Electrochemical Performance of N-Doped Carbon Nanospheres Supported Multiple Transition Metal Sulfides Electrocatalyst1
Photodissociation dynamics of nitrous oxide: The O(1D)+N2(X1Σg+) product channel1
Controlling decomposition reaction pathways of novel primary explosives at electronic structure level1
Chinese Abstracts1
A plasma injection ion source for photoelectron imaging of metal-containing anions1
Formation of multiple quantum wells m 2D/3D perovskite heterostructures invalidates phonon bottleneck effect1
Behavior characterization of hydrogen species on ZnO electrode during electrolytic reduction of water1
Dissociative photoionization ofm-xylene1
Brightening of dark excitons in single-walled carbon nanotubes: Investigation by many-body Green’s function theory1
Theoretical Study of Dehydrogenation Reaction Mechanism on Cu10, Au10, Au8Cu2, or Cu1/Au8Cu2/TiO2 Surfaces1
Effects of surface defects on adsorption of CO and methyl groups on rutile TiO2(110)1
Ultrafast proton coupled electron transfer between tryptophan and tyrosine in peptides Trp-Pron-Tyr1
Investigation of ultrafast excited-state dynamics of 3-furfural1
Primary processes in bacterial reaction center revealed by femtosecond broadband fluorescence spectroscopy1
Effects of reagent rotational excitation on OH+HCI→CI+H2O reaction1
∧-type doublets and lifetime broadening in the B2Π–X2Π electronic origin band of C6H1
Spectroscopic identification and bonding properties of HNCOCa+: A matrix isolation and computational study1
Vacuum ultraviolet free-electron laser photoionization mass spectrometry of alpha-pinene ozonolysis1
Development and application of ultrafast circular dichroism spectroscopy techniques0
Rovibronic spectrum of PbS in 19520–22900 cm−10
Evaluating harmonic oscillator propagator with stochastic decoupling0
Chinese Abstracts0
Detection of radiocarbon dioxide with double-resonance absorption spectroscopy0
Improved surface acidity of niobium doped tungstated-zirconia solid acid catalyst over production of 5-hydroxymethylfurfural0
Accelerated interfacial charge transfer in Br-gradient MAPbI3-xBrx perovskite thin films0
Imaging ultraviolet light-induced oxygen vacancy diffusion on TiO2(110) surface0
Energy-transfer in CsPbBr3 nanocrystals: Sensitization of porphyrin triplets0
Ru/Ir on Fe2O3 as an Efficient Catalyst for Preferential Oxidation of CO towards Hydrogen Purification0
Generalized quantum master equation: A tutorial review and recent advances0
High resolution laser excitation spectra and Franck-Condon factors of A2Π−X2Σ+ electronic transition of MgF0
Analysis of the impacts of reactant molecular beam velocity spreads on product velocity resolution in crossed beam experiments0
Insights into interface mechanism of three typical antibiotics onto the graphene oxide/chitosan composite: Experimental and theoretical investigation0
Semi-Empirical model to retrieve finite temperature terahertz absorption spectra using Morse potential0
First-principles Study of P2-Type NaxNiO2 and NaxNi0.75M0.25O2 (M=Fe, Cu, Mn) Cathode Materials for Sodium-Ion Battery0
Direct observation of long-lived vibrational hot ground states by ultrafast spectroscopy and visible/lnfrared double excitation fluorescence0
Vibrational mode selectivity in dissociative ionization of 2-ethoxyethanol: An IR-VUV NRIFD-IR spectroscopic study0
Structural Features of Liquid DMSO from Temperature-Dependent Raman Spectroscopy and Theoretical Calculations0
Vacuum ultraviolet photodissociation dynamics of OCS via the F Rydberg state: The S(3PJ = 2, 1, 0) product channels0
Molecular dynamics simulation of typical molecular ferroelectrics based on polarized crystal charge model0
Ring polymer molecular dynamics of the C(1D)+H2 reaction on the most recent potential energy surfaces0
A fitting program for structural determination of molecular clusters from rotational spectroscopy0
Marcus’ electron transfer rate revisited via a Rice-Ramsperger-Kassel-Marcus analogue: A unified formalism for linear and nonlinear solvation scenarios0
Chinese Abstracts0
Photodissociation Dynamics of D2S+ near 340 nm0
Boron-containing thermally activated delayed blue fluorescence materials via donor tuning: A theoretical study0
Exploration of earth-abundant transition metals (Fe, Co, Ni) doped on W18O49 system as electrocatalysts for urea productiont0
Chinese Abstracts0
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