[1] |
Carlos CÁRDENAS,Macarena MUÑOZ,Julia CONTRERAS,Paul W. AYERS,Tatiana GÓMEZ,Patricio FUENTEALBA.
Understanding Chemical Reactivity in Extended Systems: Exploring Models of Chemical Softness in Carbon Nanotubes
[J]. Acta Phys. -Chim. Sin., 2018, 34(6): 631-638.
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[2] |
Jiao LI,Zhong CHEN.
First-Principles Study on the Electronic and Photocatalytic Properties of Ag3XO4 (X = P, As, V)
[J]. Acta Phys. -Chim. Sin., 2017, 33(5): 941-948.
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[3] |
Xiao-Qing LU,Zi-Gang ZHAO,Ke LI,Shu-Xian WEI,Yuan-Yuan QU,Yong-Qiang NIU,Xue-Feng LIU.
First-Principles Investigation of the Structural and Photoelectronic Properties of CH3NH3PbxSn1-xI3 Mixed Perovskites
[J]. Acta Phys. -Chim. Sin., 2016, 32(6): 1439-1445.
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[4] |
WANG Fang-Fang, CAO Zhan-Min, CHEN Jun, XING Xian-Ran.
Effects of A-Site Substitutions on Negative Thermal Expansion in PbTiO3 fromFirst-Principles Calculations
[J]. Acta Phys. -Chim. Sin., 2014, 30(8): 1432-1436.
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[5] |
TANG Fa-Wei, GUO Wei-Min, TANG Nan-Nan, PEI Jun-Yan, XU Xuan.
Quantum Chemical Study on the Adsorption of Formic on a Pt-Sn(111)/CAlloy Surface
[J]. Acta Phys. -Chim. Sin., 2013, 29(10): 2198-2206.
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[6] |
GAO Zi-Feng, CHEN Hao, QI Sui-Tao, YI Chun-Hai, YANG Bo-Lun.
Study of Hydrogen Adsorption on Pt and Pt-Based Bimetallic Surfaces by Density Functional Theory
[J]. Acta Phys. -Chim. Sin., 2013, 29(09): 1900-1906.
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[7] |
SUN Chao, YAN Liu-Ming, YUE Bao-Hua.
Improvement of Surface Structure and Enhancement of Conductivity of LiFePO4 Surface by Graphene and Graphene-Like B-C-N Coating
[J]. Acta Phys. -Chim. Sin., 2013, 29(08): 1666-1672.
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[8] |
FAN Xiao-Li, LIU Yan, DU Xiu-Juan, LIU Chong, ZHANG Chao.
Dissociative Adsorption of Methanethiol on Cu(111) Surface: a Density Functional Theory Study
[J]. Acta Phys. -Chim. Sin., 2013, 29(02): 263-270.
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[9] |
LAN Zhi-Qiang, XIAO Xiao, SU Xin, CHEN Jie-Shi, GUO Jin.
Effect of Doping with Aluminium on the Electronic Structure and Hydrogen Storage Properties of Mg2Ni Alloy
[J]. Acta Phys. -Chim. Sin., 2012, 28(08): 1877-1884.
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[10] |
ZHAO Xin-Xin, TAO Xiang-Ming, MI Yi-Ming, CHEN Shu, TAN Ming-Qiu.
Geometric Structures and Electronic States of Ni(110)-p2mg(2×1)-CO Surface
[J]. Acta Phys. -Chim. Sin., 2009, 25(11): 2305-2311.
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[11] |
LIU Yi-Liang, YANG Bin-Wei, JIANG Gang.
Electronic Effects of Atomic Nitrogen on Carbon on the Ni(111) Surface
[J]. Acta Phys. -Chim. Sin., 2009, 25(03): 435-440.
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[12] |
JIANG Shi-Yu; TENG Bo-Tao; LU Ji-Qing; LIU Xue-Song; YANG Pei-Fang; YANG Fei-Yong; LUO Meng-Fei.
A Density Functional Theory Study of Formaldehyde Adsorption on CeO2(111) Surface
[J]. Acta Phys. -Chim. Sin., 2008, 24(11): 2025-2031.
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[13] |
ZHANG Hua;CHEN Xiao-Hua;ZHANG Zhen-Hua;QIU Ming.
Effect of Grafted Hydroxyl on the Electronic Structure of Finite-length Carbon Nanotubes
[J]. Acta Phys. -Chim. Sin., 2006, 22(09): 1101-1105.
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