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Diamondoid Supramolecular Coordination Frameworks from Discrete Adamantanoid Platinum(II) Cages 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 140, 期号: 22, 页码: 7005-7011
Authors:  Cao, LP;  Wang, PP;  Miao, XR;  Dong, YH;  Wang, H;  Duan, HH;  Yu, Y;  Li, XP;  Stang, PJ
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Metal-organic Frameworks  Rational Design  Networks  Chemistry  Hydrogen  Crystalline  Complexes  Polyhedra  Cuboctahedron  Metallacycles  
Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 19, 页码: 16739-16746
Authors:  Wu, QS;  Xu, WW;  Ma, L;  Wang, JL;  Zeng, XC
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Increase Structural Dimensionality  Metal-metal Interactions  Theoretical Chemistry  Excited-state  Solid-state  Gold  Localization  Shell  Luminescence  Attraction  
Investigation on molecular structure of molten Li2BeF4 (FLiBe) salt by infrared absorption spectra and density functional theory (DFT) 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 242, 期号: -, 页码: 1052-1057
Authors:  Liu, ST;  Su, T;  Cheng, JH;  An, XH;  Zhang, P;  Liu, HT;  Yao, SD;  Xie, LD;  Hou, HQ
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Raman-spectra  Vibrational-spectra  Reflection Spectra  Fluoride Salts  Ir  Reactor  Chemistry  Nitrates  Lif-bef2  Liquids  
Effect of Cr contents on the diffusion behavior of Te in Ni-based alloy 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2017, 卷号: 497, 期号: -, 页码: 101-106
Authors:  Jia, YY;  Li, ZF;  Ye, XX;  Liu, RD;  Leng, B;  Qiu, J;  Liu, M;  Li, ZJ
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Molten-salt Reactor  Tellurium  Corrosion  Nickel  Superalloy  Chemistry  
Thorium copper phosphides: more diverse metal-phosphorus and phosphorus-phosphorus interactions than U analogues 期刊论文
DALTON TRANSACTIONS, 2017, 卷号: 46, 期号: 36, 页码: 12041-12052
Authors:  Jin, GB;  Malliakas, CD;  Lin, J
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Crystal-structure  Structural Chemistry  Uranium Chalcogenides  Electronic-structure  Transport-properties  Black Phosphorus  Rare-earth  Polyphosphides  Complexes  Pnictides  
Thermodynamic modeling of the GdF3-MF (M: Li, K, Rb, Cs) systems 期刊论文
FLUID PHASE EQUILIBRIA, 2017, 卷号: 449, 期号: -, 页码: 18-27
Authors:  Li, X;  Wang, K;  Xie, LD
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Molten-salt Reactor  Crystal-structure  Alkali Fluorides  Liquid-mixtures  Phase-diagrams  Binary-systems  Thermochemistry  Chemistry  M=k  Na  
Ti12Xe: A twelve-coordinated Xe-containing molecule 期刊论文
PHYSICS LETTERS A, 2017, 卷号: 381, 期号: 29, 页码: 2363-2366
Authors:  Miao, JJ;  Xu, WW;  Zhu, BE;  Gao, Y
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Highest Coordination-number  Generalized Gradient Approximation  Transition-elements  Xenon  Pseudopotentials  Chemistry  Noble  Gas  Exchange  Thermochemistry  
Identification of Superoxide O-2(-) during Thermal Decomposition of Molten KNO3-NaNO2-NaNO3 Salt by Electron Paramagnetic Resonance and UV-Vis Absorption Spectroscopy 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 4, 页码: 372-378
Authors:  Liu, ST;  Su, T;  Zhang, P;  Fei, ZJ;  Liu, HT
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Solar Power-plants  Energy Storage  Potassium-nitrate  Fused-salts  Spectra  Matrix  Chemistry  Oxygen  O2  Molecules  
Infrared Spectroscopic and Theoretical Studies on the OMF2 and OMF (M = Cr, Mo, W) Molecules in Solid Argon 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 40, 页码: 7603-7612
Authors:  Wei, R;  Li, QN;  Gong, Y;  Andrews, L;  Fang, ZT;  Thanthiriwatte, KS;  Vasiliu, M;  Dixon, DA
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Coupled-cluster Theory  Chromyl Fluoride  Matrix-isolation  Oxide Tetrafluoride  Triple Excitations  Oxygen Difluoride  Quantum-chemistry  Oxidation-state  Wave-functions  Atoms  
Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 10, 页码: 4829-4840
Authors:  Yanai, T;  Saitow, M;  Xiong, XG;  Chalupsky, J;  Kurashige, Y;  Guo, S;  Sharma, S
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Initio Quantum-chemistry  Gaussian-basis Sets  Wave-functions  Excited-states  Unitary-invariant  Energy Gradients  Size-consistent  Product States  Level Shift  Atoms Li