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Advances in Enhanced Sampling Molecular Dynamics Simulations for Biomolecules
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High Resolution Crossed Molecular Beams Study of the H+HD→H2+D Reaction
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Probing the Electronic Structure of the CoB16- Drum Complex: Unusual Oxidation State of Co-1
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van der Waals Interactions in Bimolecular Reactions
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Cavity-Enhanced Saturation Spectroscopy of Molecules with sub-kHz Accuracy
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Quantum State-to-State Vacuum Ultraviolet Photodissociation Dynamics of Small Molecules
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Femtosecond Time-Resolved Spectroscopic Photoemission Electron Microscopy for Probing Ultrafast Carrier Dynamics in Heterojunctions
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Imaging the Dissociation Dynamics of Si2+ via Two-Photon Excitation at 193 nm
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Site-Dependent TERS Study of a Porphyrin Molecule on Ag(100) at 7 K
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Single-Atom Protecting Group for on-Surface Synthesis of Graphdiyne Nanowires
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Energy Transfer and Electron Transfer in Composite System of Carbon Quantum Dots/Rhodamine B Molecules
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Metal-Organic Frameworks Derived Ag-CoSO4 Nanohybrids as Efficient Electrocatalyst for Oxygen Evolution Reaction
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Near Ambient Pressure Adsorption of Nickel Carbonyl Contaminated CO on Cu(111) Surface
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Effect of Sample Temperature on Radiation Characteristics of Nanosecond Laser-Induced Soil Plasma
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Density Functional Theory and Electrochemistry Studies on LiFexMn1-xPO4 Solid Solutions
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Direct Z-scheme CdS-CdS Nanorod Arrays Photoanode: Synthesis, Characterization and Photoelectrochemical Performance
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Ab Initio Calculation on Spectroscopic Properties and Radiative Lifetimes of Low-Lying Excited States of NaK
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Optical Spectroscopy of Pr3+ Ion Singly Doped LiLuF4 Single Crystal by Bridgman Method
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Influence of Neighboring Layers on Interfacial Energy of Adjacent Layers
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Computational Study on Interactions between CO2 and (TiO2)n Clusters at Specific Sites
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Near-Field Scattering Enhancement of Perylene Based Aggregates for Random Lasing
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Selective Oxidation of Aldehyde over Hydroxymethyl Group Catalyzed by Gold Nanoparticles in Aqueous Phase
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Iterative Multireference Con guration Interaction
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Effect of Sulfate Adlayer on Formic Acid Oxidation on Pd(111) Electrode
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Redox Controllable Switch of Crystalline Phase and Physical Property in SrVOx Epitaxial Films
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Dark Color ZnO Quasi-One-Dimensional Nanostructures Grown by Hydrothermal Method and Modulation of their Optical Properties
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Bio-syngas Converting to Liquid Fuels over Co Modified Fe3O4-MnO2 Catalysts
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Chinese Abstracts
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Content
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Temperature-Dependent Formation of Redox Sites in Molybdenum Trioxide Studied by Electron Paramagnetic Resonance Spectroscopy
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Preparation of Li4Ti5O12 Microspheres with a Pure Cr2O3 Coating Layer and its Effect for Lithium Storage
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Photoelectron Spectroscopy and Density Functional Calculations of TiGen- (n=7-12) Clusters
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Cross-Propagation Sum-Frequency Generation Vibrational Spectroscopy
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Spin Polarization at Organic-Ferromagnetic Interface: E ect of Contact Con guration
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Excited-State Proton Transfer and Decay in Hydrogen-Bonded Oxazole System:MS-CASPT2//CASSCF Study
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In situ Detection of Amide A Bands of Proteins in Water by Raman Ratio Spectrum
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Infrared Photodisssociation Spectroscopy of Boron Carbonyl Cation Complexes
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Polarization Dependent Time-Resolved Infrared Spectroscopy and Its Applications
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Photodissociation Dynamics of 2-Iodotoluene Investigated by Femtosecond Time-Resolved Mass Spectrometry
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Calculations of Energy-Loss Function for 26 Materials
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A Double Network Hydrogel with High Mechanical Strength and Shape Memory Properties
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Crystallization Behavior and Properties of B-Doped ZnO Thin Films Prepared by Sol-Gel Method with Di erent Pyrolysis Temperatures
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First-Principles Study of Magnetism in Transition Metal Doped Na0.5Bi0.5TiO3 System
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Anomalous and Normal Diffusion of Tracers in Crowded Environments: E ect of Size Disparity between Tracer and Crowders
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Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH
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Two Step Chemical Vapor Deposition of In2Se3/MoSe2 van der Waals Heterostructures
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Infrared Spectra, Structures and Bonding of Binuclear Transition Metal Carbonyl Cluster Ions
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Photo-depositing Ru and RuO2 on Anatase TiO2 Nanosheets as Co-catalysts for Photocatalytic O2 Evolution from Water Oxidation
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Identification of Superoxide O2- during Thermal Decomposition of Molten KNO3-NaNO2-NaNO3 Salt by Electron Paramagnetic Resonance and UV-Vis Absorption Spectroscopy
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Synthesis of Higher Alcohols from Syngas over Alkali Promoted K-Co-Mo Catalysts Supported on Multi-walled Carbon Nanotubes
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Dissipaton Equation of Motion Theory versus Fokker-Planck Quantum Master Equation
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Photodissociation Dynamics of Carbon Dioxide Cation via the Vibrationally Mediated Ã2Πu,1/2 State: A Time-Sliced Velocity-Mapped Ion Imaging Study
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High-Resolution Threshold Photoelectron Spectroscopy by Vacuum Ultraviolet Laser Velocity-Map-Imaging Method
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Paclitaxel Hydrogelator Delays Microtubule Aggregation
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A High-Performance and Flexible Chemical Structure & Data Search Engine Built on CouchDB & ElasticSearch
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g-C3N4/SnS2 Heterostructure: a Promising Water Splitting Photocatalyst
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Chinese Abstracts
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Surface Plasmon Assisted Directional Rayleigh Scattering
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γ-Ray Irradiation-Derived MnO/rGO Composites for High Performance Lithium Ion Batteries
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Raman and Infrared Spectra for All-trans-astaxanthin in Dimethyl Sulfoxide Solvent
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Preparation of Organic Nanoacid Catalyst for Urethane Formation
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Quantum Dynamics of Oxyhydrogen Complex-Forming Reactions for the HO2 and HO3 Systems
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Efficient Separation of Ar and Kr from Environmental Samples for Trace Radioactive Noble Gas Detection
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Bimetallic RuM (M=Co, Ni) Alloy NPs Supported on MIL-110(Al): Synergetic Catalysis in Hydrolytic Dehydrogenation of Ammonia Borane
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TiO2/BiVO4, a Heterojuncted Microfiber with Enhanced Photocatalytic Performance for Methylene Blue under Visible Light Irradiation
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Ordered Toroid Structures of Nanoparticles in Self-attractive Semi exible Polymer/Nanoparticle Composites
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Reactions of Group V Metal Atoms with Hydrogen Sulfide:Argon Matrix Infrared Spectra and Theoretical Calculations
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Molecular Dynamics Simulation Study of ClF in Water: Halogen Bonding Interaction in Liquid
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Molecular Dynamics Study of Hydrogen Dissociation on Pd Surfaces using Reactive Force Fields
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Low-Storage Runge-Kutta Method for Simulating Time-Dependent Quantum Dynamics
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Experimental and Density Functional Theory Calculation Studies on Raman and Infrared Spectra of 1,1'-Binaphthyl-2,2'-diamine
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Maximum Thermodynamic Electrical Efficiency of Fuel Cell System and Results for Hydrogen, Methane, and Propane Fuels
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Electrochemical Preparation of Polypyrrole/Graphene Films on Titanium Mesh as Active Materials for Supercapacitors
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Narrow Band Gap and Roomtemperature Ferromagnetism in KNb1-xFexO3-δ
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Intermolecular Interactions in Self-Assembly Process of Sodium Dodecyl Sulfate by Vertically Polarized Raman Spectra
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Theories and Applications of Mixed Quantum-Classical Non-adiabatic Dynamics
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Superparticles Formed by Amphiphilic Tadpole-like Single Chain Polymeric Nanoparticles and Their Application as an Ultrasonic Responsive Drug Carrier
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Phosphorescent Cationic Iridium (III) Complexes with 1,3,4-Oxadiazole Cyclometalating Ligands:Solvent-Dependent Excited-State Dynamics
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Laser Ablation Atomic Beam Apparatus with Time-Sliced Velocity Map Imaging for Studying State-to-State Metal Reaction Dynamics
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First-Principles Investigation on Triazine Based Thermally Activated Delayed Fluorescence Emitters
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π-Electron-Assisted Relaxation of Spin Excited States in Cobalt Phthalocyanine Molecules on Au(111) Surface
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Numerical Investigation on 1,3-Butadiene/Propyne Co-pyrolysis and Insight into Synergistic Effect on Aromatic Hydrocarbon Formation
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Contacted Ion Pairs in Aqueous CuCl2 by the Combination of Ratio Spectra, Difference Spectra, Second Order Difference Spectra in the UV-Visible Spectra
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Influence of Poly (methyl metacrylate) Addition on Resistive Switching Performance of P3HT/P(VDF-TrFE) Blend Films
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Effect of a Single Repeat Sequence of the Human Telomere d(TTAGGG) on Structure of Single-Stranded Telomeric DNA d[AGGG(TTAGGG)6]
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Effect of Mn Promoter on Structure and Performance of K-Co-Mo Catalyst for Synthesis of Higher Alcohols from CO Hydrogenation
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Comparison of Adsorption of Proteins at Di erent Sizes on Pristine Graphene and Graphene Oxide
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Real-Time Observation of Pyoverdine Dissolving Ferric Hydroxide
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Tailoring Oxygen Vacancy on Co3O4 Nanosheets with High Surface Area for Oxygen Evolution Reaction
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Field Measurement of NO2 and RNO2 by Two-Channel Thermal Dissociation Cavity Ring Down Spectrometer
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Diffusion of Formaldehyde on Rutile TiO2(110) Assisted by Surface Hydroxyl Groups
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Photocatalytic Activity Improvement of g-C3N4 under Visible Light by Optimizing Preparation Conditions
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Recent Advances in Multifunctional Capsule Catalysts in Heterogeneous Catalysis
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A New kHz Velocity Map Ion/Electron Imaging Spectrometer for Femtosecond Time-Resolved Molecular Reaction Dynamics Studies
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Investigation of Ultrafast Electronic Transfer Process on Organic/Inorganic Heterojunction by Femtosecond Transient Absorption
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Hermiticity of Hamiltonian Matrix using the Fourier Basis Sets in Bond-Bond-Angle and Radau Coordinates
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Modification of Surface Reactivity by CO: Effects on Decomposition and Polymerization of Acetaldehyde on Ru(0001)
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Ab initio Study of Anharmonic Force Field and Spectroscopic Constants for Germanium Dichloride
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Pyrolysis of CL20-BTF Co-crystal via ReaxFF-lg Reactive Force Field Molecular Dynamics Simulations
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Catalytic Performance of Graphite Oxide Supported Au Nanoparticles in Aerobic Oxidation of Benzyl Alcohol: Support Effect