Theoretical Derivation of Heuristic Molecular Lipophilicity Potential:  A Quantum Chemical Description for Molecular Solvation

2005 ◽  
Vol 45 (2) ◽  
pp. 347-353 ◽  
Author(s):  
Qishi Du ◽  
Peng-Jun Liu ◽  
Paul G. Mezey
Keyword(s):  
Quantum Chemical ◽  
Theoretical Derivation ◽  
Lipophilicity Potential ◽  
Chemical Description ◽  
Molecular Lipophilicity Potential

Methodological aspects of the quantum-chemical description of interface dipoles at tetrathiafulvalene/tetracyanoquinodimethane interfaces

2012 ◽  
Vol 137 (17) ◽  
pp. 174708 ◽  
Author(s):  
T. Van Regemorter ◽  
M. Guillaume ◽  
A. Fuchs ◽  
C. Lennartz ◽  
V. Geskin ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Methodological Aspects ◽  
Chemical Description

Quantum-Chemical Description of the Thermodynamic Characteristics of Clusterization of Melamine-type Amphiphiles at the Air/Water Interface

2009 ◽  
Vol 113 (40) ◽  
pp. 13235-13248 ◽  
Author(s):  
Yu. B. Vysotsky ◽  
A. A. Shved ◽  
E. A. Belyaeva ◽  
E. V. Aksenenko ◽  
V. B. Fainerman ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Thermodynamic Characteristics ◽  
Water Interface ◽  
Air Water Interface ◽  
Chemical Description
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