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作品数:20被引量:22H指数:3
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相关机构:武汉东湖学院更多>>
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Organic Compounds Possessing the Plastic Crystalline Phase: Calculation of Their Fusion Enthalpies
《International Journal of Organic Chemistry》2024年第3期93-106,共14页Mikhail Yu. Gorbachev Natalia N. Gorinchoy 
For the first time, for different organic and inorganic compounds possessing the plastic crystalline phase, a new semiempirical equation describing dependence of their fusion enthalpies on such physico-chemical quanti...
关键词:Fusion Enthalpies Calculation Organic Compounds Inorganic Compounds Plastic Crystalline Phases 
Transformation of long-period stacking ordered structures in Mg-Gd-Y-Zn alloys upon synergistic characterization of first-principles calculation and experiment and its effects on mechanical properties被引量:1
《Journal of Magnesium and Alloys》2024年第5期1867-1879,共13页Mingyu Li Guangzong Zhang Siqi Yin Changfeng Wang Ying Fu Chenyang Gu Renguo Guan 
supported by the National Key Research and Development Program of China[grant No.2018YFB2001800];National Natural Science Foundation of China[grant No.51871184];Dalian High-level Talents Innovation Support Program[grant No.2021RD06]。
Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are investigated.The transformation process...
关键词:Mg-Gd-Y-Zn alloys Long-period stacking ordered First-principles calculations ENTHALPIES Mechanical properties 
Interest of Splitting the Enthalpies of Vaporization in Four Distinct Parts Reflecting the Van der Waals and the Hydrogen Bonding Forces
《Open Journal of Physical Chemistry》2020年第2期117-137,共21页Paul Laffort 
An experimental characterization of the Van der Waals forces involved in volatile organic compounds (VOC) dissolved into stationary phases of gas liquid chromatography (GLC) has been started at the beginning of the se...
关键词:Enthalpy of VAPORIZATION Van der WAALS INTERMOLECULAR FORCES Molecular Polarity Polar Surface Area Gas-Liquid Chromatography Chemo-Informatics OLFACTION 
Vacancy formation enthalpies of high-entropy FeCoCrNi alloy via first-principles calculations and possible implications to its superior radiation tolerance被引量:8
《Journal of Materials Science & Technology》2018年第2期355-364,共10页Weiliang Chen Xueyong Ding Yuchao Feng Xiongjun Liu Kui Liu Z.P. Lu Dianzhong Li Yiyi Li C.T. Liu Xing-Qiu Chen 
supported by the National Science Fund for Distinguished Young Scholars (No. 51725103);by the National Natural Science Foundation of China (Grant Nos. 51671193 and 51474202);by the Science Challenging (Project No. TZ2016004);by the “Hundred Talented Project” of the Chinese Academy of Sciences;financially supported by the National Natural Science Foundation of China (Nos. 51671018 and 51671021);111 Project (No. B07003);International S&T Cooperation Program of China (No. 2015DFG52600);the Program for Changjiang Scholars and Innovative Research Team in University of China (No. IRT 14R05);the Projects of SKL-AMM-USTB (Nos. 2016Z-04, 2016-09 and 2016Z-16);supported by the Hong Kong URC grant under the contract with City University of Hong Kong
Because atoms in high-entropy alloys (HEAs) coordinate in very different and distorted local environ- ments in the lattice sites, even for the same type of constituent, their point defects could highly vary. Therefo...
关键词:FeCoCrNi Point defects Vacancy formation enthalpy First-principles calculations Modeling high-entropy alloys 
Thermochemical Parameters of Tetramethylthiourea Adducts of Certain Metal(II) Bromides
《Open Journal of Physical Chemistry》2015年第1期9-19,共11页Pedro Oliver Dunstan 
Complexes of the general formula [MBr2(TMTU)n] (where M is Mn, Fe, Co, Ni, Cu, Zn or Cd;TMTU is Tetramethylthiourea;n is 0.75, 2 or 3) were obtained by the reaction of salts and ligand in solution. The bromides were s...
关键词:ENTHALPIES of Formation Thermodynamic Coordinated Bond ENTHALPIES Solution CALORIMETRY Dissolution ENTHALPIES Tetramethylthiourea ADDUCTS 
Thermochemical Parameters of 3-Chloroaniline Complexes of Certain Bivalent Transition Metal Bromides
《Open Journal of Physical Chemistry》2013年第4期163-169,共7页Pedro Oliver Dunstan Abdul Majeed Khan 
Complexes of general formula [MBr2(3-clan)n] (where M is Fe, Ni, Cu or Zn;3-clan = m-chloroaniline;n is 1.5 or 2) were prepared and their characteristic properties, such as capillary MP;C, H, N, Br and metal contents;...
关键词:ENTHALPIES of Formation Thermodynamic Coordinated Bond ENTHALPIES Calorimetric Measurements 
Structure-property relationships in ILs: A study of the alkyl chain length dependence in vaporisation enthalpies of pyridinium based ionic liquids被引量:4
《Science China Chemistry》2012年第8期1525-1531,1-6,共7页ZAITSAU Dzmitry H. YERMALAYEU Andrei V. EMEL'YANENKO Vladimir N. VEREVKIN Sergey P. WELZ-BIERMANN Urs SCHUBERT Thomas 
supported by the German Science Foundation (DFG) in frame of the priority program SPP 1191 "Ionic Liquids" (VE 265/5-3)
The enthalpies of vaporization for the series of pyridinium-based ionic liquids with bis(trifluoromethylsulfonyl)imide anion [CnPy][NTfz] (n = 2, 3, 4, 5, and 6) have been determined with the quartz crystal microb...
关键词:ionic liquids enthalpy of vaporization quartz crystal microbalance structure-property relations 
Enthalpies Estimation of Formation of Monosubstituted Alkanes by Interaction Potential Index被引量:3
《Chinese Journal of Chemical Physics》2012年第2期153-160,I0003,共9页Ya-xin Wu Chen-zhong Cao Hua Yuan 
This work was supported by the National Natural Science Foundation of China (No.21072053 and No.20772028) and the Scientific Research Fund of Hunan Provincial Education Department (No.10K025 and No.09C386).
The interaction potential index IPI(X) of 16 Br, C1, I, NO2, CN, CHO, COOH, CH3, CH: kinds of substituents X (X---OH, SH, NH2, :CH2, C-CH, Ph, COCH3, COOCH3) were proposed, which are derived from the experimenta...
关键词:Interaction potential index SUBSTITUENT Monosubstituted alkane Enthalpy offormation Polarizability effect index 
Thermochemical parameters of 1,2,3,4-tetrahydroquinoline adducts of some divalent transition metal bromides
《Natural Science》2011年第7期535-541,共7页Pedro O. Dunstan 
The adducts [MBr2(L)n], where M = Fe, Co, Ni, Cu or Zn;L = 1,2,3,4-tetrahydroquinoline (THQ);n = 0.75, 1 or 2 have been obtained from the interaction in hot solution of THQ with the metal(II) bromides. The compounds w...
关键词:Transition Metal Complexes THERMOCHEMISTRY Coordinated Bonds Energies Dissolution ENTHALPIES Calorimetry 
Calculation on the Solid Solution Forming Enthalpies of Re-Mo-Ti Gradient Alloy in Thermodynamics
《Journal of Shanghai Jiaotong university(Science)》2011年第2期180-185,共6页杨尚磊 楼松年 
the Shanghai Leading Academic Discipline Project of China (No.J51402);the Innovation Program of Shanghai Municipal Education Commission of China (No.11ZZ177)
The idea about preparation of Re-Mo-Ti alloy is put forward because of applications of Re and Mo-Re alloys in aerospace.Basing on the thermodynamics theory,the feasibility of developing a new high temperature alloy Re...
关键词:Re-Mo-Ti alloy gradient materials solid solution forming enthalpy THERMODYNAMICS 
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