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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...
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...
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
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...