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Raman Spectroscopic and Theoretical Study of Scandium Fluoride and Oxyfluoride Anions in Molten FLiNaK 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2020, 卷号: 124, 期号: 30, 页码: 6671-6678
Authors:  Wang, CY;  Chen, XT;  Wei, R;  Gong, Y
View  |  Adobe PDF(2165Kb)  |  Favorite  |  View/Download:3/1  |  Submit date:2021/09/06
DENSITY-FUNCTIONAL THEORY  HIGH-TEMPERATURE NMR  BIS(TRIFLUOROMETHANESULFONYL) IMIDE ANION  IONIC LIQUID  VIBRATIONAL-SPECTRA  RARE-EARTH  MOLECULAR-DYNAMICS  LOCAL-STRUCTURE  BINARY MELTS  BASIS-SET  
Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules 期刊论文
INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 9796-9810
Authors:  Wei, R;  Fang, ZT;  Vasiliu, M;  Dixon, DA;  Andrews, L;  Gong, Y
View  |  Adobe PDF(2531Kb)  |  Favorite  |  View/Download:32/6  |  Submit date:2020/10/16
DENSITY-FUNCTIONAL CALCULATIONS  2ND-ORDER PERTURBATION-THEORY  COUPLED-CLUSTER THEORY  MATRIX-ISOLATION  OXYGEN DIFLUORIDE  BENCHMARK CALCULATIONS  ELECTRONIC-STRUCTURE  VIBRATIONAL-SPECTRA  TRIPLE EXCITATIONS  CORRELATION-ENERGY  
The effect of structure evolution upon heat treatment on the beta-nucleating ability of calcium pimelate in isotactic polypropylene 期刊论文
POLYMER, 2018, 卷号: 149, 期号: -, 页码: 55-64
Authors:  Yue, Y;  Hu, DD;  Zhang, QL;  Lin, JY;  Feng, JC
View  |  Adobe PDF(2327Kb)  |  Favorite  |  View/Download:41/3  |  Submit date:2019/12/17
EPITAXIAL CRYSTALLIZATION  SUPERMOLECULAR STRUCTURE  MECHANICAL-PROPERTIES  VIBRATIONAL-SPECTRA  AGENT  CRYSTAL  SHEAR  DICARBOXYLATES  MORPHOLOGY  BEHAVIOR  
Anomalous compression behaviour in Nd2O3 studied by x-ray diffraction and Raman spectroscopy 期刊论文
AIP ADVANCES, 2018, 卷号: 8, 期号: 2, 页码: -
Authors:  Jiang, S;  Liu, J;  Bai, LG;  Li, XD;  Li, YC;  He, SM;  Yan, S;  Liang, DX
View  |  Adobe PDF(2215Kb)  |  Favorite  |  View/Download:136/20  |  Submit date:2018/09/06
Rare-earth Sesquioxides  High-pressure  Phase-transition  Ab-initio  Vibrational-spectra  Transformation  Deposition  Crystals  Er2o3  Films  
Terahertz time-domain spectroscopy of L-histidine hydrochloride monohydrate 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2018, 卷号: 1157, 页码: 486-491
Authors:  Zong, SQ;  Ren, GH;  Li, SP;  Zhang, B;  Zhang, JB;  Qi, WP;  Han, JG;  Zhao, HW
View  |  Adobe PDF(1815Kb)  |  Favorite  |  View/Download:129/36  |  Submit date:2018/09/06
Single-crystals  Raman-spectra  Neutron-diffraction  Vibrational-spectra  Low-temperature  Amino-acids  Crystallization  Growth  
Terahertz Spectra of Ninhydrin and Indane-1,2,3-Trione 期刊论文
JOURNAL OF INFRARED MILLIMETER AND TERAHERTZ WAVES, 2017, 卷号: 38, 期号: 7, 页码: 896-908
Authors:  Zou, T;  Li, SP;  Pan, TT;  Zhang, B;  Yu, Z;  Li, XD;  Zhang, JB;  Zhao, HW
View  |  Adobe PDF(3053Kb)  |  Favorite  |  View/Download:86/21  |  Submit date:2018/08/30
Density-functional Theory  Time-domain Spectroscopy  Solid-state  Pulsed Spectroscopy  Vibrational-spectra  Crystal-structure  Thz Spectroscopy  Dehydration  Monohydrate  Acid  
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
View  |  Adobe PDF(715Kb)  |  Favorite  |  View/Download:147/30  |  Submit date:2018/08/30
Raman-spectra  Vibrational-spectra  Reflection Spectra  Fluoride Salts  Ir  Reactor  Chemistry  Nitrates  Lif-bef2  Liquids  
Terahertz study of L-asparagine and its monohydrate 期刊论文
ACTA PHYSICA SINICA, 2014, 卷号: 63, 期号: 13
Authors:  Yang, JQ;  Li, SX;  Zhao, HW;  Zhang, JB;  Yang, N;  Jing, DD;  Wang, CY;  Han, JG;  zhaohongwei@sinap.ac.cn;  jiaghan@tju.edu.cn
View  |  Adobe PDF(4434Kb)  |  Favorite  |  View/Download:244/94  |  Submit date:2015/03/13
Time-domain Spectroscopy  Density-functional Theory  Solid-state  Vibrational-modes  Amino-acids  Spectra  Relaxation  
High-Pressure-Induced Polymorphic Transformation of Maleic Hydrazide 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 15, 页码: 8122—8127
Authors:  Wang, K;  Liu, J;  Yang, K;  Liu, BB;  Zou, B;  zoubo@jlu.edu.cn
View  |  Adobe PDF(1453Kb)  |  Favorite  |  View/Download:161/49  |  Submit date:2015/03/13
Induced Phase-transition  X-ray-diffraction  Hydrogen-bond  Vibrational-spectra  Energetic Materials  Raman-spectroscopy  Crystal-structures  Amino-acids  Photoisomerization  Glycine  
High-Pressure-Induced Reversible Phase Transition in Sulfamide 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 32, 页码: 18640—18645
Authors:  Wang, K;  Liu, J;  Yang, K;  Liu, BB;  Zou, B;  zoubo@jlu.edu.cn
View  |  Adobe PDF(3081Kb)  |  Favorite  |  View/Download:158/45  |  Submit date:2015/03/13
Raman-spectroscopy  Crystal-structure  Vibrational-spectra  Hydrogen-bonds  Polymorphism  Chemistry  Acid