[1] |
SHANG Chenyao, ZHANG Donghui.
Analytical Gradient Method for Fundamental Invariant Neural Networks
[J]. Chem. J. Chinese Universities, 2021, 42(7): 2146.
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[2] |
AN Feng, HU Xixi, XIE Daiqian.
Research Advances on Nonadiabatic Energy Transfer Dynamics for Triatomic Molecules
[J]. Chem. J. Chinese Universities, 2021, 42(7): 2103.
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[3] |
LI Kangming, LI Yansai, YI Yangjie, XU Leitao, YE Jiao, OU Xiaoming, LI Jianming, HU Aixi.
Design, Synthesis and Biological Activity of 5-Pyrazole Carboxamides †
[J]. Chem. J. Chinese Universities, 2020, 41(4): 716.
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[4] |
BAI Xu, HAN Chaoying, ZHU Hua.
Theoretical Studies of the Potential Energy Surface and Rovibrational Spectra for Kr-C2H2
[J]. Chem. J. Chinese Universities, 2019, 40(8): 1649.
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[5] |
ZHAO Bangtun, TAO Jingjing, CHEN Xiaoji, FU Huimin, ZHU Weimin.
Synthesis, Structure and Electrochemistry of Tetrathiafulvalene Vinylogues Bearing Thienyl and Pyridyl Groups†
[J]. Chem. J. Chinese Universities, 2018, 39(7): 1449.
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[6] |
ZHAO Bangtun, MA Shuxiu, TAO Jingjing, ZHU Weimin.
Synthesis, Structures and Electrochemical Properties of Pyridine-based Tetrathiafulvalene Derivatives†
[J]. Chem. J. Chinese Universities, 2017, 38(2): 193.
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[7] |
MAHMUTJAN Jelil, ABLAT Mamat, ALIMJAN Abaydulla, MAMAT Tursun.
Investigation of Topology-distinct Stable Structures for Hydrogen Fluoride Clusters (HF)n(n=2—8) by the Methods of Graph Theoretical Enumerations and Quantum Chemical Calculations†
[J]. Chem. J. Chinese Universities, 2016, 37(12): 2275.
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[8] |
CHEN Jiuju.
Theoretical Studies on the of Ambipolar Charge Transport in Terazulene Single Crystal†
[J]. Chem. J. Chinese Universities, 2016, 37(1): 121.
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[9] |
XIANG Junfeng, YI Pinggui, YU Xianyong, CHEN Jian, HAO Yanlei, REN Zhiyong.
Excited-state Proton Transfer of 2-(2-Hydroxyphenyl)benzothiazole in the Confined Nanocavity†
[J]. Chem. J. Chinese Universities, 2015, 36(4): 654.
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[10] |
QU Zexing, GAO Jiali.
Multistate Density Function Theory and the Construction of Diabatic and Adiabatic Potential Energy Surfaces†
[J]. Chem. J. Chinese Universities, 2015, 36(11): 2236.
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[11] |
GAO Chenggui, LONG Zhengwen, TAN Xingfeng, LONG Bo, ZHANG Weijun, LONG Chaoyun, QIN Shuijie.
Theoretical Investigation on the Reaction Between HRnCCH and X(X=H2O, NH3) in Gas Phase†
[J]. Chem. J. Chinese Universities, 2014, 35(2): 344.
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[12] |
ZHANG Zhi-Hong, LEI Peng.
Dynamic Study of the Isotopic Effect on Ca+CD3I→CaI+CD3 Reaction Used Quasi-classical Trajectory Method
[J]. Chem. J. Chinese Universities, 2013, 34(6): 1450.
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[13] |
GAO Si-Meng, HE Hai-Peng, DING Yi-Hong.
SnAl4- and PbAl4-: Two New Planar Tetra-coordinate Molecule
[J]. Chem. J. Chinese Universities, 2013, 34(1): 185.
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[14] |
QIHE Ri-Ma, ZHAO Xiao-Guang, ZHANG Yun-Hong, YUAN Hui, XU Guang-Tong.
Investigation of Selectivity over HDS Catalysts by in situ IR Spectra of Adsorbed CO and Molecular Simulation Calculation
[J]. Chem. J. Chinese Universities, 2012, 33(02): 383.
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[15] |
CI Cheng-Gang, DUAN Xue-Mei, LIU Jing-Yao*, SUN Chia-Chung.
Theoretical Studies on Photodissociation Mechanism of Glycoladehyde
[J]. Chem. J. Chinese Universities, 2011, 32(7): 1588.
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