[1] |
Xingang Fei, Haiyan Tan, Bei Cheng, Bicheng Zhu, Liuyang Zhang.
2D/2D Black Phosphorus/g-C3N4 S-Scheme Heterojunction Photocatalysts for CO2 Reduction Investigated using DFT Calculations
[J]. Acta Phys. -Chim. Sin., 2021, 37(6): 2010027-0.
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[2] |
Yunfei Wang, Jianhua Liu, Mei Yu, Jinyan Zhong, Qisen Zhou, Junming Qiu, Xiaoliang Zhang.
SnO2 Surface Halogenation to Improve Photovoltaic Performance of Perovskite Solar Cells
[J]. Acta Phys. -Chim. Sin., 2021, 37(3): 2006030-0.
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[3] |
Haixia Li,Jiwei Wang,Lifang Jiao,Zhanliang Tao,Jing Liang.
Spherical Nano-SnSb/C Composite as a High-Performance Anode Material for Sodium Ion Batteries
[J]. Acta Physico-Chimica Sinica, 2020, 36(5): 1904017-0.
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[4] |
Xuezhu Xiao, Xiaofang Cao, Dongbo Zhao, Chunying Rong, Shubin Liu.
Quantification of Molecular Basicity for Amines: a Combined Conceptual Density Functional Theory and Information-Theoretic Approach Study
[J]. Acta Physico-Chimica Sinica, 2020, 36(11): 1906034-0.
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[5] |
Zhichao Huang,Yazhong Dai,Xiaojie Wen,Dan Liu,Yuxuan Lin,Zhen Xu,Jian Pei,Kai Wu.
Conformational Switching of Verdazyl Radicals on Au(111)
[J]. Acta Physico-Chimica Sinica, 2020, 36(1): 1907043-0.
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[6] |
Qiang CHEN,Li-Xue JIANG,Hai-Fang LI,Jiao-Jiao CHEN,Yan-Xia ZHAO,Sheng-Gui HE.
Thermal Activation of Methane by Diatomic Vanadium Boride Cations
[J]. Acta Physico-Chimica Sinica, 2019, 35(9): 1014-1020.
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[7] |
Dan WANG,Xunlei DING,Henglu LIAO,Jiayu DAI.
Methane Activation on (Au/Ag)1-Doped Vanadium Oxide Clusters
[J]. Acta Physico-Chimica Sinica, 2019, 35(9): 1005-1013.
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[8] |
Mengru HAN,Yanan ZHOU,Xuan ZHOU,Wei CHU.
Tunable Reactivity of MNi12 (M = Fe, Co, Cu, Zn) Nanoparticles Supported on Graphitic Carbon Nitride in Methanation
[J]. Acta Physico-Chimica Sinica, 2019, 35(8): 850-857.
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[9] |
Yue ZHAO,Jiatong CUI,Jichuang HU,Jiabi MA.
Reactivities of VO1–4+ Toward n-CmH2m+2 (m = 3, 5, 7) as Functions of Oxygen Content and Carbon Chain Length
[J]. Acta Phys. -Chim. Sin., 2019, 35(5): 531-538.
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[10] |
Kati. FINZEL,Patrick. BULTINCK.
The Influence of the Exchange-Correlation Functional on the Non-Interacting Kinetic Energy and Its Implications for Orbital-Free Density Functional Approximations
[J]. Acta Phys. -Chim. Sin., 2018, 34(6): 650-655.
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[11] |
Martínez GONZÁLEZ Marco,Carlos CÁRDENAS,Juan I. RODRÍGUEZ,Shubin LIU,Farnaz HEIDAR-ZADEH,Ramón Alain MIRANDA-QUINTANA,Paul W. AYERS.
Quantitative Electrophilicity Measures
[J]. Acta Phys. -Chim. Sin., 2018, 34(6): 662-674.
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[12] |
Paul W. AYERS,Mel LEVY.
Levy Constrained Search in Fock Space: An Alternative Approach to Noninteger Electron Number
[J]. Acta Phys. -Chim. Sin., 2018, 34(6): 625-630.
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[13] |
Tian LU,Qinxue CHEN.
Revealing Molecular Electronic Structure via Analysis of Valence Electron Density
[J]. Acta Phys. -Chim. Sin., 2018, 34(5): 503-513.
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[14] |
Farnaz HEIDAR-ZADEH,Paul W. AYERS.
Generalized Hirshfeld Partitioning with Oriented and Promoted Proatoms
[J]. Acta Phys. -Chim. Sin., 2018, 34(5): 514-518.
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[15] |
Yueqi YIN,Mengxu JIANG,Chunguang LIU.
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
[J]. Acta Phys. -Chim. Sin., 2018, 34(3): 270-277.
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