化学物理学报

CJCP2109179Ultrafast Electron Transfer in All-Small-Molecule Photovoltaic Blends Promoted by Intermolecular Interactions in Cyanided Donors

张春峰
CJCP2106103Polydopamine Anchored Poly(2-methyl-2-oxazoline)/ Poly(4-vinyl pyridine) Mixed Brushes with Switchable Properties for Pepsin Adsorption

Yanmei
CJCP2109169Dynamic Variation of Excitonic Coupling in Excited Bilayer Graphene Quantum Dots

ye.yang@xmu.edu.cn
CJCP2109162GW/BSE Nonadiabatic Dynamics Simulations on Excited-State Relaxation Processes of Zinc Phthalocyanine-Fullerene Dyads: Roles of Bridging Chemical Bonds

崔刚龙
CJCP2109157Generalized Quantum Master Equation: A Tutorial Review and Recent Advances

Xiang Sun
CJCP2109154Accelerated Interfacial Charge Transfer in Br-Gradient MAPbI3-xBrx Perovskite Thin Films

Leng, Jing
CJCP2109150MLIMC: Machine learning-based implicit-solvent Monte Carlo

Weihua Geng
CJCP2108145Recent Implementations in LASP 3.0: Global Neural Network Potential with Multiple Elements and Better Long-Range Description

刘智攀
CJCP2104056Reaction coordinates by nonlinear dimensionality reduction

zz
CJCP2108139KSSOLV-GPU: An efficient GPU-enabled MATLAB toolbox for solving Kohn-Sham equations within density functional theory in plane-wave basis set

Wei
CJCP2108136Constrained Density Functional Theory Plus the Hubbard U Correction Approach for the Electronic Polaron Mobility: A Case Study of TiO2

Hong Jiang
CJCP2108135Direct Observation of Electron-Vibration Coupling at MXene-Solvent Interface

Hailong Chen
CJCP2108134Super-exchange and Exchange-enhanced Reactivity in Fe4S4-mediated Activation of SAM by Radical SAM Enzymes

Bin-ju Wang
CJCP2108133Evaluating First-Order Molecular Properties of Delocalized Ionic or Excited States in Molecular Aggregates by Renormalized Excitonic Method

Haibo Ma
CJCP2107124Crystallographic Groups Prediction from Chemical Composition via Deep Learning

武晓君
CJCP2107120The impact of borate on the structure of antifreeze glycoproteins

韩克利
CJCP2107119Structured eigenvalue problems in electronic structure methods from a unified perspective

Zhendong Li
CJCP2107112A Quasi-Classical Trajectory Investigation of the H + SO2 → OH + SO Reaction on a Full-Dimensional Accurate Potential Energy Surface

jli15
CJCP2106111Insights into the interface mechanism of three typical antibiotics onto the graphene oxide/chitosan composite: an experimental and theoretical investigation

艾玥洁
CJCP2106104Water-resistant and Stretchable Conductive Ionic Hydrogel Fibers Reinforced by Carboxymethyl Cellulose

mma@ustc.edu.cn
CJCP2106102基于电子结构水平调控新型起爆药分解反应机理

ZSQ
CJCP2105097N2O分子在D1Σ+态短波区域的N2(X1Σg+) + O(1S0)光解动力学研究

YuShengrui
CJCP2105096Mononuclear Carbonyl Anion Complexes of Groups IV and V Metals

王冠军
CJCP2104071Titanium Doped Nanoporous Hematite Photoanode Modified with NiFeCoAlOOH Nanoparticles for Efficient Photoelectrochemical Water Splitting

杜平武
CJCP2105086高分子基质调控室温磷光效率的设计策略

裴斌
CJCP2105083Calculations of the van der Waals interaction strengths between two alkali Rydberg atoms

Noor Zamin Khan
CJCP2104080Optoelectronic Properties of Ultra-wide-bandgap Semiconductor NaYO2: A First-principles Study

丁泽军
CJCP2104078Unveiling the Ultrafast Non-adiabatic UV Protection Mechanism of Hemicyanines

gjzhao@tju.edu
CJCP2104077CO2 reduction on metal-doped SnO2(110) surface catalysts: manipulating the product by changing the ratio of Sn:O

郑晓
CJCP2104074Fabrication of yolk-shell and hollow structures derived from MIL-125 for improved photocatalytic H2 production using γ-ray irradiation

杨松
CJCP2104068Concurrently Increasing Specific Energy and Suppressing Self-Discharge of Electrochemical Capacitors by Complexing Carbon Nanotubes with Redox Active Units-Containing Charged Copolymers

刘光明
CJCP2104066Surface synergistic protections on red phosphorus anode material by PEDOT coating and electrolyte strategy in sodium ion batteries

项宏发
CJCP2104064Suppression of Non-radiative Recombination with Efficient Doping of Spiro-OMeTAD for High-performance Perovskite Solar Cells

Hui Cao
CJCP2104058Promoting Effect of Co(OH)2 for Supported Pt Nanocatalysts toward Catalytic Hydrolysis of Ammonia Borane

Zhihu Sun
CJCP2103055Enhanced photovoltage for inverted perovskite solar cells using delafossite CuCrO2 hole transport material

Xueyan Shan
CJCP2103054Systematic Studies on CsSnBr3 Perovskite Microcrystals: CVD Growth, Structure, Stability and Optical Properties

Fa-qiang Xu
CJCP2103053Kinetics and Mechanism of Catalytic Reduction of U(VI) with Hydrazine on Platinum Catalysts in Nitric Acid Media

L.S. Xia
CJCP2103052Influence of the molecular stacking pattern on the excited state dynamics of copper phthalocyanine films

程传辉
CJCP2103049Use of Low Frequency Raman Bands to Identify Nonplanar Deformation of Ni(II) Meso-tetraphenylporphyrin Induced by Axial Ligands

Shenhao Wang
CJCP2103038Insight of Excited State Dynamics in Perylenediimide films with Isopropyl phenyl- and Undecane-Substitution

马秋实
CJCP2102036碲化镓纳米片中单斜晶相和六方晶相共存的光谱特征

秦成兵
CJCP2102031Non-enzymatic glucose sensor based on porous foam Au/MXene nanocomposites

Hui-Ling Peng
CJCP2101022C2-Si: a novel silicon allotrope in the monoclinic phase

Qingyang Fan
CJCP2101016First principles study of atomic adsorption on the (111) and (100) surfaces of Iridium

Kumneger Tadele
CJCP2012205Dimension-controllable and photo-responsive supramolecular organic frameworks with tunable fluorescence through cucurbit[8]uril-based supramolecular hierarchical self-assembly in aqueous solution

Guang Yang
CJCP2101015Electron Momentum Spectroscopy of Valence Orbitals of Cyclopentene: Nuclear Dynamics and Distorted Wave Effect

陈向军
CJCP2101012Amorphous Fe nanoclusters embedded inside balloon-like N-doped hollow carbon for efficient electrocatalytic oxygen reduction

Lingyun Liu
CJCP2101011Photochemistry of potassium ferrocyanide and its reaction with uridine 5′-monophosphate in an aqueous solution under ultraviolet irradiation

羊送球
CJCP2101008UF的激光诱导荧光光谱

白西林
CJCP2012220Long Chain Fatty Acid Affects Excited State Branching in Bilirubin-Human Serum Protein Complex

Jinquan
CJCP2012218Design and selection of high energy materials based on 4,8-dihydrodifurazano[3,4-b,e]pyrazine

Xinghui Jin
CJCP2012214Characterization and Visible Light Photocatalytic Activity of Cucurbit [n]urils / CdS-MoS2

赵安婷
CJCp20101852-糠酸甲酯与羟基反应动力学的理论研究

张李东
CJCP2011192Surface, size and thermal effects in alkali metal with core-electron binding-energy shifts

Wen-Huan Zhu
CJCP2009172Mechanistic Investigation on Rhodium (III)-catalyzed Cycloaddition of 2-vinylphenol Derivatives with Ethyne or Carbon Monoxide by DFT Study

Xing-hui Zhang
CJCP2009169Reduction of Dimerization Tendency Due to the Decrease in Hybridization Index by the Inclusion of 4s and 4p Semicore States as the Valence States in Mon (n = 2-18) Clusters: A First-Principles Study

Haisheng Li
CJCP2009154Seaweed-derived hierarchically porous carbon for highly efficient removal of tetracycline

yxzhang
CJCP2008149Flexible planar micro-supercapacitors based on carbon nanotubes

Tongtong Jiang
CJCP2008142Physical properties of Si2Ge and SiGe2 in hexagonal symmetry: First-principles calculations

Qidong Zhang
CJCP2007134Effect of Substitution site on two-photon absorption and excited states properties: a theoretical perspective

范建忠
CJCP2006101Seeing Delocalized "π" _"3" ^"6" Bond in OX2 (X = Halogen) Molecules

TYH
CJCP2006087具有光响应性的PNIPAM趋光微凝胶

刘和文
CJCP2006085Properly Identifying Diffusion Limiting Current to Unravel the Intrinsic Kinetics of Electrode Reactions Affected by Mass Transfer at Rotating Disk Electrode

陈艳霞
CJCP2005077NeuDATool: An Open Source Neutron Data Analysis Tools, Supporting GPU Hardware Acceleration, and Across-computer Cluster Nodes Parallel

马长利
CJCP2001011Crayfish Shell Waste As a Safe Biosorbent for The Removal of Cu2+ and Pb2+ from Synthetic Wastewater

Wan-Qun Hu,ShuoChen