Volume 30,Issue 1,2017 Table of Contents

   
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Content

Contents
  2017,30(1):0
  Abstract(474)  View PDF(555)   [HTML]

Chinese abstract

Chinese Abstracts
  2017,30(1):I-Ⅱ
  Abstract(450)  View PDF(467)   [HTML]

Article

Acetone Formation from Photolysis of 2-Propanol on Anatase-TiO2(101)
  Zhen-hua Geng, Xiao Chen, Qing Guo, Dong-xu Dai and Xue-ming Yang
  2017,30(1):1-6
  Abstract(834)  View PDF(526)   [HTML]
Experimental and Density Functional Theory Calculation Studies on Raman and Infrared Spectra of 1,1'-Binaphthyl-2,2'-diamine
  Zhen-lin Zhang, Wen-lou Wang, Shi-lin Liu and Dong-ming Chen
  2017,30(1):7-15
  Abstract(968)  View PDF(700)   [HTML]
Differential Cross Sections for the H+D2O→HD+OD Reaction: a Full Dimensional State-to-State Quantum Dynamics Study
  Zhi-qiang Zhao, Shu Liu and Dong H. Zhang
  2017,30(1):16-24
  Abstract(673)  View PDF(579)   [HTML]
Molecular Dynamics Simulation Study of ClF in Water: Halogen Bonding Interaction in Liquid
  Yu-feng Ye, Cen-feng Fu and Shan-xi Tian
  2017,30(1):25-28
  Abstract(1009)  View PDF(725)   [HTML]
Imaging Molecular Orbitals of Single Picene Molecules Adsorbed on Cu(111) Surface: a Combined Experimental and Theoretical Study
  Chun-sheng Zhou, Huan Shan, Bin Li and Ai-di Zhao
  2017,30(1):29-35
  Abstract(702)  View PDF(523)   [HTML]
g-C3N4/SnS2 Heterostructure: a Promising Water Splitting Photocatalyst
  Shao-hua Chen, Jia-jun Wang, Jing Huang and Qun-xiang Li
  2017,30(1):36-42
  Abstract(1013)  View PDF(872)   [HTML]
Theoretical Study of Isoprene Dissociative Photoionization
  Qiao Ma, Ming-qiang Huang, Xian-yun Liu, Yan-bo Gai, Xiao-xiao Lin, Cheng-qiang Yang, Liu-si Sheng, Xiao-bin Shan and Wei-jun Zhang
  2017,30(1):43-49
  Abstract(888)  View PDF(530)   [HTML]
High Resolution Synchrotron Diffraction Study on Charge Density Distribution of Ampicillin Trihydrate
  C. Anzline, S. Israel, R. Niranjana Devi, R. A. J. R. Sheeba and P. Richard Rajkumar
  2017,30(1):50-62
  Abstract(725)  View PDF(346)   [HTML]
Solvent Effects on Two-Photon Absorption of Alkyne and Alkene π-bridging Chromophores
  Jing Li, Chuan-kui Wang and Yu-zhi Song
  2017,30(1):63-70
  Abstract(814)  View PDF(696)   [HTML]
Molecular Dynamics Study of Hydrogen Dissociation on Pd Surfaces using Reactive Force Fields
  Yue-mei Sun, Xiang-jian Shen and Xiao-hong Yan
  2017,30(1):71-76
  Abstract(962)  View PDF(692)   [HTML]
Theoretical Simulations of Irradiation-Induced Sputtering at Tungsten Surface
  Xue-min Hua, Hai-yan He, Wen-yi Ding, Ru Ding, Jun-ling Chen and Bi-cai Pan
  2017,30(1):77-82
  Abstract(673)  View PDF(419)   [HTML]
Calculation of Surface Excitation Parameters by a Monte Carlo Method
  Zhe Zheng, Bo Da, Shi-feng Mao and Ze-jun Ding
  2017,30(1):83-89
  Abstract(841)  View PDF(642)   [HTML]
Catalytic Performance of Graphite Oxide Supported Au Nanoparticles in Aerobic Oxidation of Benzyl Alcohol: Support Effect
  Yu-jia Huo, Fan-fan Yao and Yun-sheng Ma
  2017,30(1):90-96
  Abstract(903)  View PDF(423)   [HTML]
Narrow Band Gap and Roomtemperature Ferromagnetism in KNb1-xFexO3-δ
  Dan Nie, Jiang Zhang, Wen-ji Deng, Xi Chen, Zhong-quan Mao and Ling-yun Tang
  2017,30(1):97-102
  Abstract(997)  View PDF(664)   [HTML]
Preparation of Li4Ti5O12 Microspheres with a Pure Cr2O3 Coating Layer and its Effect for Lithium Storage
  Hai-lin Zou, Xin Liang, Zhong-hui Wang, Sheng Cheng and Hong-fa Xiang
  2017,30(1):103-111
  Abstract(3437)  View PDF(685)   [HTML]
Electrochemical Preparation of Polypyrrole/Graphene Films on Titanium Mesh as Active Materials for Supercapacitors
  Jun-hao Chen, Xia-yu Feng, Wu-feng Chen, Yu-qing Song and Li-feng Yan
  2017,30(1):112-116
  Abstract(919)  View PDF(876)   [HTML]
Real-Time Observation of Pyoverdine Dissolving Ferric Hydroxide
  Jia-hong Li
  2017,30(1):117-122
  Abstract(848)  View PDF(648)   [HTML]