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CN 11-5639/O4
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Other articles related with "31.15.E":
77801 Songül Taran, Ali Kemal Garip, Haydar Arslan
  A theoretical study on chemical ordering of 38-atom trimetallic Pd-Ag-Pt nanoalloys
    Chin. Phys. B   2020 Vol.29 (7): 77801-077801 [Abstract] (40) [HTML 1 KB] [PDF 4213 KB] (65)
78103 Minru Wen, Xing Xie, Huafeng Dong, Fugen Wu, Chong-Yu Wang
  Dependence of mechanical properties on the site occupancy of ternary alloying elements in γ'-Ni3Al: Ab initio description for shear and tensile deformation
    Chin. Phys. B   2020 Vol.29 (7): 78103-078103 [Abstract] (75) [HTML 1 KB] [PDF 2462 KB] (82)
53102 Lei Xu, Tian-Jie Zhang, Qiao-Li Zhang, Da-Peng Yang
  Exploration and elaboration of photo-induced proton transfer dynamical mechanism for novel 2-[1,3]dithian-2-yl-6-(7aH-indol-2-yl)-phenol sensor
    Chin. Phys. B   2020 Vol.29 (5): 53102-053102 [Abstract] (31) [HTML 1 KB] [PDF 1351 KB] (41)
57304 Mutee Ur Rehman, Chenqiang Hua, Yunhao Lu
  Topology and ferroelectricity in group-V monolayers
    Chin. Phys. B   2020 Vol.29 (5): 57304-057304 [Abstract] (222) [HTML 1 KB] [PDF 5383 KB] (421)
58202 Chaofan Sun, Bifa Cao, Hang Yin, Ying Shi
  Relationship between ESIPT properties and antioxidant activities of 5-hydroxyflavone derivates
    Chin. Phys. B   2020 Vol.29 (5): 58202-058202 [Abstract] (44) [HTML 1 KB] [PDF 772 KB] (107)
37801 A J Wirth-Lima, P P Alves-Sousa, W Bezerra-Fraga
  Graphene's photonic and optoelectronic properties-A review
    Chin. Phys. B   2020 Vol.29 (3): 37801-037801 [Abstract] (151) [HTML 1 KB] [PDF 6013 KB] (182)
38201 Xin Zhang, Jian-Hui Han, You Li, Chao-Fan Sun, Xing Su, Ying Shi, Hang Yin
  Theoretical study on the relationship between the position of the substituent and the ESIPT fluorescence characteristic of HPIP
    Chin. Phys. B   2020 Vol.29 (3): 38201-038201 [Abstract] (83) [HTML 1 KB] [PDF 3217 KB] (65)
38202 Yu-Qi Wang, Xiao-Rui Sun, Rui-Juan Xiao, Li-Quan Chen
  Computational screening of doping schemes forLiTi2(PO4)3 as cathode coating materials
    Chin. Phys. B   2020 Vol.29 (3): 38202-038202 [Abstract] (182) [HTML 1 KB] [PDF 1030 KB] (243)
28803 Xiaowei Jiang, Wan-Jian Yin
  Designing solar-cell absorber materials through computational high-throughput screening
    Chin. Phys. B   2020 Vol.29 (2): 28803-028803 [Abstract] (241) [HTML 1 KB] [PDF 4510 KB] (409)
13102 Jie Chen, Weiyu Xie, Kaihang Li, Shengbai Zhang, Yi-Yang Sun
  Benchmarking PBE+D3 and SCAN+rVV10 methods using potential energy surfaces generated with MP2+ ΔCCSD(T) calculation
    Chin. Phys. B   2020 Vol.29 (1): 13102-013102 [Abstract] (216) [HTML 1 KB] [PDF 714 KB] (119)
16601 Hua-Liang Cao, Xin-Lu Cheng, Hong Zhang
  Beryllium carbide as diffusion barrier against Cu: First-principles study
    Chin. Phys. B   2020 Vol.29 (1): 16601-016601 [Abstract] (87) [HTML 1 KB] [PDF 4920 KB] (141)
16801 Yunlei Wang, Yuhong Chen, Yunhui Wang
  Sodium decorated net-Y nanosheet for hydrogen storage and adsorption mechanism: A first-principles study
    Chin. Phys. B   2020 Vol.29 (1): 16801-016801 [Abstract] (94) [HTML 1 KB] [PDF 1906 KB] (73)
103105 Yu-Sheng Wang, Min Jia, Qiao-Li Zhang, Xiao-Yan Song, Da-Peng Yang
  Ab initio investigation of excited state dual hydrogen bonding interactions and proton transfer mechanism for novel oxazoline compound
    Chin. Phys. B   2019 Vol.28 (10): 103105-103105 [Abstract] (72) [HTML 1 KB] [PDF 1632 KB] (69)
93102 Yuzhi Song, Songsong Liu, Jiajun Lu, Hui Zhang, Changzhe Zhang, Jun Du
  The substituent effect on the excited state intramolecular proton transfer of 3-hydroxychromone
    Chin. Phys. B   2019 Vol.28 (9): 93102-093102 [Abstract] (100) [HTML 1 KB] [PDF 3543 KB] (86)
78106 Hong-Ping Yang, Wen-Juan Yuan, Jun Luo, Jing Zhu
  Modulation of magnetic and electrical properties of bilayer graphene quantum dots using rotational stacking faults
    Chin. Phys. B   2019 Vol.28 (7): 78106-078106 [Abstract] (95) [HTML 1 KB] [PDF 4181 KB] (195)
66101 Saad Tariq, A A Mubarak, Saher Saad, M Imran Jamil, S M Sohail Gilani
  Quantum density functional theory studies of structural, elastic, and opto-electronic properties of ZMoO3 (Z=Ba and Sr) under pressure
    Chin. Phys. B   2019 Vol.28 (6): 66101-066101 [Abstract] (116) [HTML 1 KB] [PDF 12389 KB] (132)
66801 Jing Qi, Yi-Xuan Gao, Li Huang, Xiao Lin, Jia-Jia Dong, Shi-Xuan Du, Hong-Jun Gao
  Real-space observation on standing configurations of phenylacetylene on Cu (111) by scanning probe microscopy
    Chin. Phys. B   2019 Vol.28 (6): 66801-066801 [Abstract] (127) [HTML 1 KB] [PDF 3441 KB] (108)
18201 Huifang Zhao, Chaofan Sun, Xiaochun Liu, Hang Yin, Ying Shi
  Exploring the effect of aggregation-induced emission on the excited state intramolecular proton transfer for a bis-imine derivative by quantum mechanics and our own n-layered integrated molecular orbital and molecular mechanics calculations
    Chin. Phys. B   2019 Vol.28 (1): 18201-018201 [Abstract] (150) [HTML 1 KB] [PDF 1598 KB] (125)
128103 Kesong Yang
  High-throughput design of functional materials using materials genome approach
    Chin. Phys. B   2018 Vol.27 (12): 128103-128103 [Abstract] (189) [HTML 1 KB] [PDF 6240 KB] (466)
118105 Yu Tang, Decong Li, Zhong Chen, Shuping Deng, Luqi Sun, Wenting Liu, Lanxian Shen, Shukang Deng
  Excellent thermal stability and thermoelectric properties of Pnma-phase SnSe in middle temperature aerobic environment
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93102 Nagat Elkahwagy, Atif Ismail, S M A Maize, K R Mahmoud
  Diffusion Monte Carlo calculations on LaB molecule
    Chin. Phys. B   2018 Vol.27 (9): 93102-093102 [Abstract] (113) [HTML 1 KB] [PDF 393 KB] (90)
97102 Baokun Lu, Chong-Yu Wang, Zhihui Du
  Site preferences of alloying transition metal elements in Ni-based superalloy: A first-principles study
    Chin. Phys. B   2018 Vol.27 (9): 97102-097102 [Abstract] (198) [HTML 1 KB] [PDF 936 KB] (159)
98201 Hui Li, Lina Ma, Hang Yin, Ying Shi
  Effect of intramolecular and intermolecular hydrogen bonding on the ESIPT process in DEAHB molecule
    Chin. Phys. B   2018 Vol.27 (9): 98201-098201 [Abstract] (145) [HTML 1 KB] [PDF 1331 KB] (104)
98801 De-Yuan Li, Guo-Sheng Shi, Feng Hong, Hai-Ping Fang
  Potentials of classical force fields for interactions between Na+ and carbon nanotubes
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77104 Baokun Lu, Chongyu Wang
  The effects of combining alloying elements on the elastic properties of γ-Ni in Ni-based superalloy: High-throughput first-principles calculations
    Chin. Phys. B   2018 Vol.27 (7): 77104-077104 [Abstract] (175) [HTML 1 KB] [PDF 1597 KB] (153)
63102 Francisco E Jorge, José R da Costa Venâncio
  Structure, stability, catalytic activity, and polarizabilities of small iridium clusters
    Chin. Phys. B   2018 Vol.27 (6): 63102-063102 [Abstract] (143) [HTML 0 KB] [PDF 486 KB] (541)
53101 Ghasemi Hasan, Mokhtari Ali
  Using the HgxMg(1-x) Te ternary compound as a room temperature photodetector: The electronic structure, charge transport, and response function of the energetic electromagnetic radiation
    Chin. Phys. B   2018 Vol.27 (5): 53101-053101 [Abstract] (129) [HTML 1 KB] [PDF 699 KB] (169)
58201 Hang Yin, Ying Shi
  Theoretical investigation on the excited state intramolecular proton transfer in Me2N substituted flavonoid by the time-dependent density functional theory method
    Chin. Phys. B   2018 Vol.27 (5): 58201-058201 [Abstract] (135) [HTML 1 KB] [PDF 898 KB] (177)
43103 Ping Guo, Yi-Long Qiu, Long-Long Li, Qiang Luo, Jian-Fei Zhao, Yi-Kun Pan
  Density functional theory study of structural stability for gas hydrate
    Chin. Phys. B   2018 Vol.27 (4): 43103-043103 [Abstract] (281) [HTML 1 KB] [PDF 1177 KB] (291)
33101 Nisar Ahmed, S Mukhtar, Wei Gao, Syed Zafar Ilyas
  Ab-initio calculations of structural, electronic, and optical properties of Zn3(VO4)2
    Chin. Phys. B   2018 Vol.27 (3): 33101-033101 [Abstract] (191) [HTML 1 KB] [PDF 2445 KB] (364)
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