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    CO2 Pressure Shift and Broadening of Water Lines Near 790 nm
    Yan Lu, Xin-fei Li, An-wen Liu, Shui-ming Hu
    2014, 27(1): 1-4. DOI: 10.1063/1674-0068/27/01/1-4
    Abstract PDF
    Infrared Spectroscopy of CO Isolated in Solid Nitrogen Matrix
    Lei Wu, Ricardo Lambo, Yan Tan, An-wen Liu, Shui-ming Hu
    2014, 27(1): 5-8. DOI: 10.1063/1674-0068/27/01/5-8
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    Theoretical Investigations on Graphite Oxide Immersed in Water or Methanol (cited: 3)
    Wan-wan Geng, Wen-hui Zhao, Lan-feng Yuan
    2014, 27(1): 9-14. DOI: 10.1063/1674-0068/27/01/9-14
    Abstract PDF
    New Hexagonal-rhombic Trilayer Ice Structure Confined between Hydrophobic Plates (cited: 1)
    Min Jia, Wen-hui Zhao, Lan-feng Yuan
    2014, 27(1): 15-19. DOI: 10.1063/1674-0068/27/01/15-19
    Abstract PDF
    O2, CO2, and H2O Chemisorption on UN(001) Surface: Density Functional Theory Study
    Ru-song Li, Bin He, Fei Wang, Xu Peng, Hua Wang
    2014, 27(1): 20-28. DOI: 10.1063/1674-0068/27/01/20-28
    Abstract PDF
    GPCR A2AAR Agonist Binding and Induced Conformation Changes of Functional Switches
    Xue-qin Pang, Jian-yong Liu
    2014, 27(1): 29-38. DOI: 10.1063/1674-0068/27/01/29-38
    Abstract PDF
    Theoretical Study of Reagent Rotational Excitation Effect on the Stereodynamics of H+LiF→HF+Li Reaction
    Ting-xian Xie, Ying-ying Zhang, Ying Shi, Ming-xing Jin
    2014, 27(1): 39-44. DOI: 10.1063/1674-0068/27/01/39-44
    Abstract PDF
    Quantum Chemical Studies on Structure and Detonation Performance of Bis(2,2-dinitropropyl ethylene)formal
    Shu-qing Yan, Xiao-hong Li
    2014, 27(1): 45-50. DOI: 10.1063/1674-0068/27/01/45-50
    Abstract PDF
    Experimental and Theoretical Investigation on Excited State Intramolecular Proton Transfer Coupled Charge Transfer Reaction of Baicalein
    Shan-shan Hu, Kun Liu, Qian-qian Ding, Wei Peng, Mao-du Chen
    2014, 27(1): 51-56. DOI: 10.1063/1674-0068/27/01/51-56
    Abstract PDF
    Anisotropy of Thermal-expansion for β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine: Quantum Chemistry Calculation and Molecular Dynamics Simulation
    Wen Qian, Chao-yang Zhang, Yuan-jie Shu, Ying Xiong, He-hou Zong, Wei-bin Zhang
    2014, 27(1): 57-62. DOI: 10.1063/1674-0068/27/01/57-62
    Abstract PDF
    Kinetic Implication from Temperature Effect on Hydrogen Evolution Reaction at Ag Electrode
    Jing Kang, Chu-hong Lin, Yao Yao, Yan-xia Chen
    2014, 27(1): 63-68. DOI: 10.1063/1674-0068/27/01/63-68
    Abstract PDF
    High Pressure Structural Instability and Thermal Properties of Rutile TiO2 from First-principles
    Cui-e Hu, Zhao-yi Zeng, Chun-yang Kong, Yu-ting Cui, Lin Zhang, Ling-cang Cai
    2014, 27(1): 69-74. DOI: 10.1063/1674-0068/27/01/69-74
    Abstract PDF
    Effects of Rotational Isomerism and Bond Length Alternation on Optical Spectra of FTC Chromophore in Solution
    Ke Zhao, Guang-chao Han, Li-li Zhang, Hai-hong Jia
    2014, 27(1): 75-81. DOI: 10.1063/1674-0068/27/01/75-81
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    Effect of Ar+, He+, and S+ Irradiation on n-InP Single Crystal
    Jing-yu Hu, Waqas Mahmood, Qing Zhao
    2014, 27(1): 82-86. DOI: 10.1063/1674-0068/27/01/82-86
    Abstract PDF
    Spontaneous Cracking of Graphite Oxide Sheet on Oxygen Deficient ZnO Film
    Jin-yang Liu, Hong-bin Cai, Huan-yi Ding, Kun Zhang, Nan Pan, Xiao-ping Wang
    2014, 27(1): 87-91. DOI: 10.1063/1674-0068/27/01/87-91
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    Conversion of Pretreated Biomass into Levulinic Acid via Continuous Extraction at Atmosphere Pressure(cited: 2)
    Ming-hui Fan, Li-feng Yan
    2014, 27(1): 92-98. DOI: 10.1063/1674-0068/27/01/92-98
    Abstract PDF
    Hierarchical Radial Co3O4 Microcrystal and Application in Gas Sensor
    Xin-xin Yu, Xian-song Liu, Ming-zai Wu, Zhao-qi Sun, Guang Li, Xiao-shuang Chen
    2014, 27(1): 99-102. DOI: 10.1063/1674-0068/27/01/99-102
    Abstract PDF
    Theoretical Study on the High-Temperature P6 and P6' Phases of Si3N4: A Tool to Aid in Ceramics Development
    Ben-hai Yu, Dong Chen
    2014, 27(1): 103-108. DOI: 10.1063/1674-0068/27/01/103-108
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    Investigation on Excited-State Photophysical Characteristics of Low Bandgap Polymer APFO3 (cited: 1)
    Li-li Qu, Ying-hui Wang, Zhi-hui Kang, Yu-guang Ma, Han-zhuang Zhang
    2014, 27(1): 109-114. DOI: 10.1063/1674-0068/27/01/109-114
    Abstract PDF
    Interaction Study between DNA and Histone Proteins on Single-molecule Level using Atomic Force Microscopy
    Yu-ying Liu, Peng-ye Wang, Shuo-xing Dou, Hong-feng Lv
    2014, 27(1): 115-120. DOI: 10.1063/1674-0068/27/01/115-120
    Abstract PDF
    Alumina Photonic Crystals with Defect Modes for Sensor Application
    Peng Yan, Guang-Tao Fei, Hui Li, Guo-liang Shang, Bing Wu, Li-de Zhang
    2014, 27(1): 121-124. DOI: 10.1063/1674-0068/27/01/121-124
    Abstract PDF
    Chinese Abstracts
    2014, 27(1): 125-125. DOI: 10.1088/1674-0068/26/6/1-1
    Abstract PDF