Table of Contents

• Cover and Table of Contents for Vol.34 No. 3
• Acta Phys. -Chim. Sin. 2018, 34 (3), 0.

• 1048Abstract/Metrics
• 409 PDF(8947KB)

• Dual-Color Single-Mode Lasing in Axially Coupled Organic Nanowire Resonators
• Lifeng CHI
• Acta Phys. -Chim. Sin. 2018, 34 (3), 227-228. DOI: 10.3866/PKU.WHXB201708011

• 2587Abstract/Metrics
• 71RichHTML
• 843 PDF(1183KB)

• Steering Surface Reaction Dynamics with Self-Assembly Strategy
• Lifeng CHI
• Acta Phys. -Chim. Sin. 2018, 34 (3), 229-230. DOI: 10.3866/PKU.WHXB201708282

• 2577Abstract/Metrics
• 20RichHTML
• 667 PDF(514KB)

• The Key Molecular Mechanism of Promoting the Stability of Lithium-Metal Batteries with Pulse Charging
• Buxing HAN
• Acta Phys. -Chim. Sin. 2018, 34 (3), 231-232. DOI: 10.3866/PKU.WHXB201708012

• 2685Abstract/Metrics
• 23RichHTML
• 1649 PDF(890KB)

• Field Effect Modulation of Surface Catalysis over Back-Gated Nanosheets
• Qiang FU
• Acta Phys. -Chim. Sin. 2018, 34 (3), 233-234. DOI: 10.3866/PKU.WHXB201708301

• 2623Abstract/Metrics
• 25RichHTML
• 1091 PDF(422KB)

• Tunable Chiral Metal Organic Frameworks for Visible Light-Driven Asymmetric Catalysis
• Tierui ZHANG
• Acta Phys. -Chim. Sin. 2018, 34 (3), 235-236. DOI: 10.3866/PKU.WHXB201709041

• 2662Abstract/Metrics
• 26RichHTML
• 1016 PDF(859KB)

• Single-Component Luminescent Materials Activated with Mixed-Valence Eu(+2, +3): Designed Synthesis, Luminescent Properties and Mechanisms
• Sisi LIANG,Mengmeng SHANG,Jun LIN
• White LEDs are considered the next-generation light source as they are environmentally friendly and have high efficienci...
• Acta Phys. -Chim. Sin. 2018, 34 (3), 237-246. DOI: 10.3866/PKU.WHXB201708281

• 5037Abstract/Metrics
• 49RichHTML
• 2168 PDF(1638KB)

• Plasma-Triggered CH₃OH/NH₃ Coupling Reaction for Synthesis of Nitrile Compounds
• Yanhui YI,Xunxun WANG,Li WANG,Jinhui YAN,Jialiang ZHANG,Hongchen GUO
• Nitriles are very important for the synthesis of fine chemicals and medicines. However, many nitriles are not widely ava...
• Acta Phys. -Chim. Sin. 2018, 34 (3), 247-255. DOI: 10.3866/PKU.WHXB201708171

• 3950Abstract/Metrics
• 15RichHTML
• 1068 PDF(655KB)

• Density Functional Theory Study on the Formation Mechanism of Isolated-Pentagon-Rule C₁₀₀(417)Cl₂₈
• Fanhua YIN,Kai TAN
• A new isolated-pentagon-rule (IPR) C100(417)Cl28 has been captured, but its formation mechanism is still unclear. Herein...
• Acta Phys. -Chim. Sin. 2018, 34 (3), 256-262. DOI: 10.3866/PKU.WHXB201708071

• 3630Abstract/Metrics
• 18RichHTML
• Supporting Info
• 1045 PDF(1103KB)

• Fukui Functions for the Temporary Anion Resonance States of Be^-, Mg^-, and Ca^-
• Robert C MORRISON
• In this work, the Fukui functions of the two 2P resonance states of Be-, a 2P resonance state of Mg-, and a 2D resonance...
• Acta Phys. -Chim. Sin. 2018, 34 (3), 263-269. DOI: 10.3866/PKU.WHXB201708173

• 2763Abstract/Metrics
• 13RichHTML
• 609 PDF(514KB)

• DFT Study of POM-Supported Single Atom Catalyst (M₁/POM, M = Ni, Pd, Pt, Cu, Ag, Au, POM = [PW₁₂O₄₀]^3-) for Activation of Nitrogen Molecules
• Yueqi YIN,Mengxu JIANG,Chunguang LIU
• Molecular geometries, electronic structure, and infrared spectroscopy of a series of polyoxometalate (POM)-supported sin...
• Acta Phys. -Chim. Sin. 2018, 34 (3), 270-277. DOI: 10.3866/PKU.WHXB201707071

• 5022Abstract/Metrics
• 49RichHTML
• Supporting Info
• 2703 PDF(984KB)

• Strength of Intramolecular Hydrogen Bonds
• Xiaoyu JIANG,Wei WU,Yirong MO
• The concept of resonance-assisted hydrogen bonds (RAHBs) highlights the synergistic interplay between the π-resonance an...
• Acta Phys. -Chim. Sin. 2018, 34 (3), 278-285. DOI: 10.3866/PKU.WHXB201708174

• 3068Abstract/Metrics
• 36RichHTML
• 1089 PDF(637KB)

• Effect of Coordinatively Unsaturated Metal Sites in Porous Aromatic Frameworks on Hydrogen Storage Capacity
• Xuanjun WU,Lei LI,Liang PENG,Yetong WANG,Weiquan CAI
• The effect of inserting coordinatively unsaturated metal sites (CUS) into porous aromatic frameworks (PAFs) on their hyd...
• Acta Phys. -Chim. Sin. 2018, 34 (3), 286-295. DOI: 10.3866/PKU.WHXB201708172

• 4208Abstract/Metrics
• 28RichHTML
• Supporting Info
• 1186 PDF(2867KB)

• Mechanical and Optical Properties of a Novel Diamond-Like Si(C≡C－C₆H₄－C≡C)₄ Single-Crystalline Semiconductor: a First-Principles Study
• Lei FANG,Mingjun SUN,Xinrui CAO,Zexing CAO
• In this work, a monocrystalline silicon-like material, C40H16Si2, was designed by structural modification based on the t...
• Acta Phys. -Chim. Sin. 2018, 34 (3), 296-302. DOI: 10.3866/PKU.WHXB201708241

• 4202Abstract/Metrics
• 25RichHTML
• 1732 PDF(887KB)

• Understanding the Isomerization of Monosubstituted Alkanes from Energetic and Information-Theoretic Perspectives
• Aiguo ZHONG,Rongrong LI,Qin HONG,Jie ZHANG,Dan CHEN
• A unified explanation for the relative stability of linear and branched alkanes is still lacking, and research in this d...
• Acta Phys. -Chim. Sin. 2018, 34 (3), 303-313. DOI: 10.3866/PKU.WHXB201708302

• 3125Abstract/Metrics
• 16RichHTML
• 785 PDF(792KB)

• Toxicity Prediction of Organoph Osphorus Chemical Reactivity Compounds Based on Conceptual DFT
• Xiaoqin DING,Junjie DING,Dayu LI,Li PAN,Chengxin PEI
• Following the exceptional success of density functional theory (DFT) in the realm of quantum chemistry, the conceptual D...
• Acta Phys. -Chim. Sin. 2018, 34 (3), 314-322. DOI: 10.3866/PKU.WHXB201709042

• 3918Abstract/Metrics
• 33RichHTML
• Supporting Info
• 1099 PDF(477KB)