Volume ,Issue 1,2017 Table of Contents

Other Issues:  


  Abstract(84)  View PDF(44)   [HTML]

Chinese Abstract

Chinese Abstracts
  Abstract(89)  View PDF(68)   [HTML]


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
  Abstract(166)  View PDF(133)   [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
  Abstract(141)  View PDF(137)   [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
  Abstract(101)  View PDF(85)   [HTML]
Molecular Dynamics Simulation Study of ClF in Water: Halogen Bonding Interaction in Liquid
  Yu-feng Ye, Cen-feng Fu and Shan-xi Tian
  Abstract(124)  View PDF(167)   [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
  Abstract(124)  View PDF(111)   [HTML]
g-C3N4/SnS2 Heterostructure: a Promising Water Splitting Photocatalyst
  Shao-hua Chen, Jia-jun Wang, Jing Huang and Qun-xiang Li
  Abstract(195)  View PDF(131)   [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
  Abstract(161)  View PDF(100)   [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
  Abstract(105)  View PDF(80)   [HTML]
Solvent Effects on Two-Photon Absorption of Alkyne and Alkene π-bridging Chromophores
  Jing Li, Chuan-kui Wang and Yu-zhi Song
  Abstract(108)  View PDF(145)   [HTML]
Molecular Dynamics Study of Hydrogen Dissociation on Pd Surfaces using Reactive Force Fields
  Yue-mei Sun, Xiang-jian Shen and Xiao-hong Yan
  Abstract(102)  View PDF(112)   [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
  Abstract(99)  View PDF(77)   [HTML]
Calculation of Surface Excitation Parameters by a Monte Carlo Method
  Zhe Zheng, Bo Da, Shi-feng Mao and Ze-jun Ding
  Abstract(98)  View PDF(105)   [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
  Abstract(136)  View PDF(68)   [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
  Abstract(99)  View PDF(102)   [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
  Abstract(112)  View PDF(102)   [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
  Abstract(95)  View PDF(132)   [HTML]
Real-Time Observation of Pyoverdine Dissolving Ferric Hydroxide
  Jia-hong Li
  Abstract(124)  View PDF(99)   [HTML]