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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Table of Contents
COMMUNICATION
Hydroxyl Radical Reaction with the Guanine-Cytosine Base Pair: A Density Functional Theory Study
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Grafting Dynamics, Structures and Properties of Nano TiO<sub>2</sub>-SA Photocatalytic Materials
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Molecular Dynamics Simulation of Reverse-Osmotic Salt Rejection and Water Transport through Double-Walled Carbon Nanotube
Effects of Interactions between Ions and Alanine Polar Groups on Alanine Associations in Saline Solution: Density Functional Theory and Molecular Dynamics Simulation
Structure and Diffusivity of Oxygen in Concentrated Alkali-Metal Hydroxide Solutions: A Molecular Dynamics Simulation Study
Coupled-Cluster Theoretical Study of Structures and Spectroscopic Constants of Dimers Zn<sub>2</sub> and Cd<sub>2</sub> with Spin-Orbit Coupling
Assignment for Vibrational Spectra of BaTiO<sub>3</sub> Ferroelectric Ceramic Based on the First-Principles Calculation
Stability of <em>trans</em>-Dioxo Manganese(V) Corrole Complex
Theoretical Study of Methanol C―H and O―H Bond Activation by PtRu Clusters
Effects of Azido Bridge on Magnetic Properties of Dinuclear Nickel Complexes: Density Functional Theory Studies
ELECTROCHEMISTRY AND NEW ENERGY
Effects of Sulfate Ions on Anodic Dissolution and Passivity of Iron in Slightly Alkaline Solutions
Preparation and Electrochemical Performance of Ni(OH)<sub>2</sub> Nanowires/ Three-Dimensional Graphene Composite Materials
Application of a Simplified Diode Characteristic Model in Current-Voltage Curve Fitting and Evaluation of Photoelectric Parameters within Dye-Sensitized Solar Cell
SOFT MATTER
Influence of Temperature on Microstructure and Physicochemical Properties of Alkali Lignin in Aqueous Solution
CATALYSIS AND SURFACE SCIENCE
Influence of Catalyst Structure on Performance of Cu/SiO<sub>2</sub> in Hydrogenation of Methyl Acetate
Fischer-Tropsch Synthesis over Skeletal Co@HZSM-5 Core-Shell Catalysts
Synthesis of g-C<sub>3</sub>N<sub>4</sub>/BiVO<sub>4</sub> Nanocomposite Photocatalyst and Its Application in Photocatalytic Reduction of CO<sub>2</sub>
Effects of Rare-Earth Additives on Structures and Performances of CuO-CeO<sub>2</sub>-SiO<sub>2</sub> Catalysts for Recycling Cl<sub>2</sub> from HCl Oxidation
Structural Transition of Poly(L-lactic acid) Film Induced by Compression at Air/Water Interface
BIOPHYSICAL CHEMISTRY
Molecular Dynamics Simulation of Active-Sites of Retaining and Inverting <em>β</em>-Xylosidases
PHYSICAL CHEMISTRY OF MATERIALS
Polyimide Aerogels Crosslinked with Chemically Modified Graphene Oxide
Ultrafine Au Nanowires Synthesized via One-Step Wet Chemical Method
Preparation, Field Emission Characteristics and First-Principles Calculations of La-Doped or N-Doped SiC Nanowires
Preparation of Mg<sub>2</sub>Al Layered Double Hydroxide Nanosheets from Triton X-100 Hexagonal Lyotropic Liquid Crystal and Their Application as Drug Carriers
Optimization of Intrinsic Silicon Passivation Layers in nc-Si:H/c-Si Silicon Heterojunction Solar Cells
Monthly, Started in 1985
Supervised By: CAST
Sponsored By: CCS         PKU
Published By: APCS, CCME, PKU
Editor-in-Chief (EC): TANG You-Qi
Executive Associate EC: ZHAO Xin-Sheng
Associate EC: BAO Xin-He    GUO Rong
SUN Shi-Gang    WU Kai
WU Yun-Dong    YAO Jian-Nian
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Address: College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P.R.China
Service Tel: +8610-62751724 Fax: +8610-62756388 Email:whxb@pku.edu.cn
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