Study of the orientation of thiourea adsorbed on aluminum oxide by tunneling spectroscopy. I. Determination of partial charges from molecular electrostatic potential calculations for thiourea and urea

1985 ◽  
Vol 31 (10) ◽  
pp. 6676-6684 ◽  
Author(s):  
C. D. Crowder ◽  
G. P. Alldredge ◽  
H. W. White
Keyword(s):  
Aluminum Oxide ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Tunneling Spectroscopy ◽  
Partial Charges

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
P. K. Sajith
Keyword(s):  
Hydrogen Bonding ◽  
Interaction Energy ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Theoretical Study ◽  
Nitroxide Radicals ◽  
Hydrogen Bonding Interactions ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

Determination of the mass proportion of aluminum oxide in aluminosilicate raw material using the BARS-3 instrument

Refractories ◽  
1989 ◽  
Vol 30 (5-6) ◽  
pp. 361-362
Author(s):  
V. S. Rybakov ◽  
V. A. Esipova ◽  
E. E. Glinskii
Keyword(s):  
Aluminum Oxide ◽  
Raw Material ◽  
Mass Proportion
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