Chinese Journal of Chemical Physics

1
Advances in Enhanced Sampling Molecular Dynamics Simulations for Biomolecules
2
High Resolution Crossed Molecular Beams Study of the H+HD→H₂+D Reaction
3
Probing the Electronic Structure of the CoB₁₆^- Drum Complex: Unusual Oxidation State of Co^-1
4
van der Waals Interactions in Bimolecular Reactions
5
Femtosecond Time-Resolved Spectroscopic Photoemission Electron Microscopy for Probing Ultrafast Carrier Dynamics in Heterojunctions
6
Cavity-Enhanced Saturation Spectroscopy of Molecules with sub-kHz Accuracy
7
Site-Dependent TERS Study of a Porphyrin Molecule on Ag(100) at 7 K
8
Imaging the Dissociation Dynamics of Si₂⁺ via Two-Photon Excitation at 193 nm
9
Quantum State-to-State Vacuum Ultraviolet Photodissociation Dynamics of Small Molecules
10
Single-Atom Protecting Group for on-Surface Synthesis of Graphdiyne Nanowires
11
Energy Transfer and Electron Transfer in Composite System of Carbon Quantum Dots/Rhodamine B Molecules
12
Iterative Multireference Con guration Interaction
13
Metal-Organic Frameworks Derived Ag-CoSO₄ Nanohybrids as Efficient Electrocatalyst for Oxygen Evolution Reaction
14
Near Ambient Pressure Adsorption of Nickel Carbonyl Contaminated CO on Cu(111) Surface
15
Direct Z-scheme CdS-CdS Nanorod Arrays Photoanode: Synthesis, Characterization and Photoelectrochemical Performance
16
Selective Oxidation of Aldehyde over Hydroxymethyl Group Catalyzed by Gold Nanoparticles in Aqueous Phase
17
Effect of Sulfate Adlayer on Formic Acid Oxidation on Pd(111) Electrode
18
Density Functional Theory and Electrochemistry Studies on LiFe_xMn_1-xPO₄ Solid Solutions
19
Effect of Sample Temperature on Radiation Characteristics of Nanosecond Laser-Induced Soil Plasma
20
Ab Initio Calculation on Spectroscopic Properties and Radiative Lifetimes of Low-Lying Excited States of NaK
21
Influence of Neighboring Layers on Interfacial Energy of Adjacent Layers
22
Near-Field Scattering Enhancement of Perylene Based Aggregates for Random Lasing
23
Computational Study on Interactions between CO₂ and (TiO₂)_n Clusters at Specific Sites
24
Optical Spectroscopy of Pr³⁺ Ion Singly Doped LiLuF₄ Single Crystal by Bridgman Method
25
Bio-syngas Converting to Liquid Fuels over Co Modified Fe₃O₄-MnO₂ Catalysts
26
Redox Controllable Switch of Crystalline Phase and Physical Property in SrVO_x Epitaxial Films
27
Chinese Abstracts
28
Temperature-Dependent Formation of Redox Sites in Molybdenum Trioxide Studied by Electron Paramagnetic Resonance Spectroscopy
29
Dark Color ZnO Quasi-One-Dimensional Nanostructures Grown by Hydrothermal Method and Modulation of their Optical Properties
30
Content
31
Preparation of Li₄Ti₅O₁₂ Microspheres with a Pure Cr₂O₃ Coating Layer and its Effect for Lithium Storage
32
A Double Network Hydrogel with High Mechanical Strength and Shape Memory Properties
33
Anomalous and Normal Diffusion of Tracers in Crowded Environments: E ect of Size Disparity between Tracer and Crowders
34
Two Step Chemical Vapor Deposition of In₂Se₃/MoSe₂ van der Waals Heterostructures
35
Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH
36
Infrared Spectra, Structures and Bonding of Binuclear Transition Metal Carbonyl Cluster Ions
37
Dissipaton Equation of Motion Theory versus Fokker-Planck Quantum Master Equation
38
A High-Performance and Flexible Chemical Structure & Data Search Engine Built on CouchDB & ElasticSearch
39
Identification of Superoxide O₂^- during Thermal Decomposition of Molten KNO₃-NaNO₂-NaNO₃ Salt by Electron Paramagnetic Resonance and UV-Vis Absorption Spectroscopy
40
Photodissociation Dynamics of Carbon Dioxide Cation via the Vibrationally Mediated Ã²Π_u,1/2 State: A Time-Sliced Velocity-Mapped Ion Imaging Study
41
Raman and Infrared Spectra for All-trans-astaxanthin in Dimethyl Sulfoxide Solvent
42
Synthesis of Higher Alcohols from Syngas over Alkali Promoted K-Co-Mo Catalysts Supported on Multi-walled Carbon Nanotubes
43
Paclitaxel Hydrogelator Delays Microtubule Aggregation
44
Surface Plasmon Assisted Directional Rayleigh Scattering
45
g-C₃N₄/SnS₂ Heterostructure: a Promising Water Splitting Photocatalyst
46
Quantum Dynamics of Oxyhydrogen Complex-Forming Reactions for the HO₂ and HO₃ Systems
47
γ-Ray Irradiation-Derived MnO/rGO Composites for High Performance Lithium Ion Batteries
48
Maximum Thermodynamic Electrical Efficiency of Fuel Cell System and Results for Hydrogen, Methane, and Propane Fuels
49
Preparation of Organic Nanoacid Catalyst for Urethane Formation
50
TiO₂/BiVO₄, a Heterojuncted Microfiber with Enhanced Photocatalytic Performance for Methylene Blue under Visible Light Irradiation
51
Bimetallic RuM (M=Co, Ni) Alloy NPs Supported on MIL-110(Al): Synergetic Catalysis in Hydrolytic Dehydrogenation of Ammonia Borane
52
Contacted Ion Pairs in Aqueous CuCl₂ by the Combination of Ratio Spectra, Difference Spectra, Second Order Difference Spectra in the UV-Visible Spectra
53
Low-Storage Runge-Kutta Method for Simulating Time-Dependent Quantum Dynamics
54
Effect of a Single Repeat Sequence of the Human Telomere d(TTAGGG) on Structure of Single-Stranded Telomeric DNA d[AGGG(TTAGGG)₆]
55
Molecular Dynamics Simulation Study of ClF in Water: Halogen Bonding Interaction in Liquid
56
Molecular Dynamics Study of Hydrogen Dissociation on Pd Surfaces using Reactive Force Fields
57
Electrochemical Preparation of Polypyrrole/Graphene Films on Titanium Mesh as Active Materials for Supercapacitors
58
Experimental and Density Functional Theory Calculation Studies on Raman and Infrared Spectra of 1,1'-Binaphthyl-2,2'-diamine
59
Recent Advances in Multifunctional Capsule Catalysts in Heterogeneous Catalysis
60
Intermolecular Interactions in Self-Assembly Process of Sodium Dodecyl Sulfate by Vertically Polarized Raman Spectra
61
Phosphorescent Cationic Iridium (III) Complexes with 1,3,4-Oxadiazole Cyclometalating Ligands:Solvent-Dependent Excited-State Dynamics
62
Theories and Applications of Mixed Quantum-Classical Non-adiabatic Dynamics
63
Superparticles Formed by Amphiphilic Tadpole-like Single Chain Polymeric Nanoparticles and Their Application as an Ultrasonic Responsive Drug Carrier
64
Narrow Band Gap and Roomtemperature Ferromagnetism in KNb_1-xFe_xO_3-δ
65
Tailoring Oxygen Vacancy on Co₃O₄ Nanosheets with High Surface Area for Oxygen Evolution Reaction
66
Influence of Poly (methyl metacrylate) Addition on Resistive Switching Performance of P3HT/P(VDF-TrFE) Blend Films
67
Influence of Electron Donating Ability on Reverse Intersystem Crossing Rate for One Kind of Thermally Activated Delayed Fluorescence Molecules
68
π-Electron-Assisted Relaxation of Spin Excited States in Cobalt Phthalocyanine Molecules on Au(111) Surface
69
Numerical Investigation on 1,3-Butadiene/Propyne Co-pyrolysis and Insight into Synergistic Effect on Aromatic Hydrocarbon Formation
70
Real-Time Observation of Pyoverdine Dissolving Ferric Hydroxide
71
Comparison of Adsorption of Proteins at Di erent Sizes on Pristine Graphene and Graphene Oxide
72
Modification of Surface Reactivity by CO: Effects on Decomposition and Polymerization of Acetaldehyde on Ru(0001)
73
Chemoselective Transfer Hydrogenation of Cinnamaldehyde over Activated Charcoal Supported Pt/Fe₃O₄ Catalyst
74
Experimental and Theoretical Study on Dissociative Photoionization of Cyclopentanone
75
A New kHz Velocity Map Ion/Electron Imaging Spectrometer for Femtosecond Time-Resolved Molecular Reaction Dynamics Studies
76
Catalytic Performance of Graphite Oxide Supported Au Nanoparticles in Aerobic Oxidation of Benzyl Alcohol: Support Effect
77
Diffusion of Formaldehyde on Rutile TiO₂(110) Assisted by Surface Hydroxyl Groups
78
Efficient Mass Transport and Electrochemistry Coupling Scheme for Reliable Multiphysics Modeling of Planar Solid Oxide Fuel Cell Stack
79
Accelerating the Construction of Neural Network Potential Energy Surfaces: A Fast Hybrid Training Algorithm
80
Field Measurement of NO₂ and RNO₂ by Two-Channel Thermal Dissociation Cavity Ring Down Spectrometer
81
γ-Ray-Radiation-Scissioned Chitosan as a Gene Carrier and Its Improved in uitro Gene Transfection Performance
82
Crossed Molecular Beam Study of H+CH₄ and H+CD₄ Reactions: Vibrationally Excited CH₃/CD₃ Product Channels
83
Effects of Shape of Crowders on Dynamics of a Polymer Chain Closure
84
Direct Vibrational Energy Transfer in Monomeric Water Probed with Ultrafast Two Dimensional Infrared Spectroscopy
85
Theoretical Investigation on Photoionization and Dissociative Photoionization of Toluene
86
Single Pt Atoms Supported on Oxidized Graphene as a Promising Catalyst for Hydrolysis of Ammonia Borane
87
DFT+U Analysis on Stability of Low-Index Facets in Hexagonal LaCoO₃ Perovskite:Effect of Co³⁺ Spin States
88
Highly Responsive and Selective Ethanol Gas Sensor Based on Co₃O₄-Modified SnO₂ Nanofibers
89
Theoretical Study of Isoprene Dissociative Photoionization
90
FeO_x Coating on Pd/C Catalyst by Atomic Layer Deposition Enhances the Catalytic Activity in Dehydrogenation of Formic Acid
91
Hidden Relaxation Channels in Aqueous Methylene Blue after Functionalization of Graphene Oxide Probed by Transient Absorption Spectroscopy
92
Long-Lived Coherence Originating from Electronic-Vibrational Couplings in Light-Harvesting Complexes
93
Clustering Algorithms to Analyze Molecular Dynamics Simulation Trajectories for Complex Chemical and Biological Systems
94
Acetone Formation from Photolysis of 2-Propanol on Anatase-TiO₂(101)
95
Quasiparticle Band Structures of Defects in Anatase TiO₂ Bulk
96
High Resolution Synchrotron Diffraction Study on Charge Density Distribution of Ampicillin Trihydrate
97
Infrared Spectra and Theoretical Calculations of BS₂ and BS₂^-: Strong Pseudo Jahn-Teller Effect
98
Coherent Exciton-Phonon Coupling in CdSe/ZnS Nanocrystals Studied by Two-Dimensional Electronic Spectroscopy
99
Two Rhodamine-based Turn on Chemosensors with High Sensitivity, Selectivity, and Naked-Eye Detection for Hg²⁺
100
Magnetic-Bottle and Velocity-Map Imaging Photoelectron Spectroscopy of APS^- (A=C₁₄H₁₀ or Anthracene): Electron Structure, Spin-Orbit Coupling of APS^·, and Dipole-Bound State of APS^-