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Calculation of analytical gradients of parameters of surface meshes on the molecular surfaces over atoms coordinates
surface meshes analytical gradients numerical gradients molecular surface primary rolling
2011/8/3
Abstract: The problem of finding of analytical gradients (derivatives over atoms coordinates) of solvation energies can be decomposed on two subtasks: at the first stage we search for parameters of th...
Vapor phase alkylation of toluene using various alcohols over H3PO4/MCM-41 catalyst: influence of reaction parameters on selectivity and conversion
Alkylation toluene mesoporous MCM-41 vapor phase H3PO4
2010/12/20
A mesoporous MCM-41 molecular sieve material with a molar ratio of SiO2/Al2O3 = 70 and loaded with H3PO4 was used as a catalyst for the alkylation of toluene, using various alcohols, namely methanol, ...
Analytical Parameters for Amplitude-Modulated Multiplexed Flow Analysis
Analytical Parameters Amplitude-Modulated Multiplexed Flow Analysis
2010/9/14
Analytical conditions of amplitude-modulated multiplexed flow analysis, the basic concept of which was recently proposed by our group, are investigated for higher sample throughput rate. The performan...
Reconstructing physico-chemical parameters of hydrothermal mineralization of copper at the Malanjkhand deposit, India, from mineral chemistry of biotite, chlorite and epidote
hydrothermal temperature fugacity copper complexing
2017/8/10
Mineral chemistry of biotite, chlorite and epidote associated with the granitoid ore body of the Malanjkhand copper-molybdenum deposit have been studied to constrain temperature, oxidation and sulfida...
Development of a New Set of Additive Parameters for the Estimation of Geometrical Distortion of Cycloalkanes from C-13 NMR Chemical Shifts
Additivity parameters C-13 NMR chemical shifts geometrical distortion cycloalkanes
2010/4/16
A previous model for the calculation of C-13 chemical shifts is modified by replacement of 3 parameters representing the p-character of carbon atom in cyclic systems with a single parameter aiming for...
期刊信息
篇名
Effects of Synthetic Parameters in Pechini Method on the Formation andProperties of (ZrO2)0. 92(Sc2O3)0.08 Solid Solution
语种
英文
撰写或编译
撰写
作者
Zhang Yawen,Wang Jingjing,Yan Zhengguang,Yan Chunhua...
Effects of Processing Parameters on Carbothermal Reduction Synthesis of Aluminium Nitride,
2007/7/28
期刊信息
篇名
Effects of Processing Parameters on Carbothermal Reduction Synthesis of Aluminium Nitride,
语种
英文
撰写或编译
作者
LI Yawei LI Nan , YUAN Runzhang
第一作者单位
刊物名称
China's Refractories
页面
4(3)(1995)19-24
出版...
Thermodynamic and Kinetic Parameters Concerning Complex Formation between 3-Hydroxy- and 1-Aminopyrene and Pyridine
Thermodynamic Kinetic Parameters Concerning Pyridine
2010/4/22
Systems formed by the pyrene derivatives 3-hydroxypyrene and 1-aminopyrene with pyridine were studied. The thermodynamic and kinetic parameters of the systems were calculated using the changes in the ...
An Investigation of Some Parameters on Electrorheological Properties of Polypyrrole Suspensions
Parameters Electrorheological Properties Polypyrrole Suspensions
2010/4/22
An Investigation of Some Parameters on Electrorheological Properties of Polypyrrole Suspensions
Optimization of Process Parameters for Reactive Lactic Acid Extraction
Reactive extraction lactic acid separation of lactic acid amine extraction two-phase system Box-Wilson method
2010/6/27
The reactive extraction method was used to separate lactic acid from its aqueous solutions. In this method, the amine in the solvent phase reacts with the lactic acid in the aqueous phase, resulting i...
The Rate of Grafting and Some Kinetic Parameters of the Graft Copolymerization of Methacrylic Acid on Poly (Ethylene Terephthalate) Fibers with Azobisisobutyronitrile
The Rate of Grafting Kinetic Parameters of the Graft Copolymerization of Methacrylic Acid Poly (Ethylene Terephthalate) Fibers Azobisisobutyronitrile
2010/6/27
In this study the rate of grafting and some kinetic parameters of the graft copolymerization of methacrylic acid on poly(ethylene terephthalate) fibers with azobisisobutyronitrile was investigated. Th...
Determination of Thermodynamic Parameters of some Complexes of 9-ethyl-3-carbazolecarboxaldehyde 4-phenyl-3-thiosemicarbazone (ECCAPT)
Spectrophotometry thiosemicarbazone thermodynamic ligand stability
2010/6/29
The complexes of Cu(II), Co(II), Zn(II), and Cd(II) with 9-ethyl-3-carbazolecarboxaldehyde 4-phenyl-3-thiosemicarbazone were synthesized and their stability constants were determined using a spectroph...