Similarity Analysis of Molecular Interaction Potential Distributions. The MIPSIM Software

2001 ◽  
pp. 333-338 ◽  
Author(s):  
F. Sanz ◽  
M. De Càceres ◽  
J. Villà
Keyword(s):  
Interaction Potential ◽  
Molecular Interaction ◽  
Similarity Analysis

scholarly journals MIPSIM: similarity analysis of molecular interaction potentials

2000 ◽  
Vol 16 (6) ◽  
pp. 568-569 ◽  
Author(s):  
Miquel de Caceres ◽  
J. Villa ◽  
J. J. Lozano ◽  
F. Sanz
Keyword(s):  
Molecular Interaction ◽  
Similarity Analysis ◽  
Interaction Potentials

The behaviour of fluids of Quasi-Spherical molecules. IV. Concerning Trouton's and Hilderbrand's rules

1955 ◽  
Vol 8 (1) ◽  
pp. 21 ◽  
Author(s):  
SD Hamann
Keyword(s):  
Interaction Potential ◽  
Molecular Interaction ◽  
Corresponding States ◽  
Polar Liquids ◽  
Theoretical Foundations

An examination of the theoretical foundations of Trouton's and Hildebrand's rules gives an explanation of the greater generality of Hildebrand's rule. In a group of liquids obeying the principle of corresponding states those with the larger critical volumes Vc have smaller Hildebrand entropies of evaporation. But in many groups of non-polar liquids an increase in Vc is accompanied by a change in the form of the molecular interaction potential (with consequent departure from the principle of corresponding states) and this change can produce a compensating increase in Hildebrand's entropy.

Squaramido-based receptors: applicability of molecular interaction potential to molecular recognition of polyalkylammonium compounds

2000 ◽  
Vol 104 (1) ◽  
pp. 50-66 ◽  
Author(s):  
David Quiñonero ◽  
Antonio Frontera ◽  
Salvador Tomàs ◽  
Guillem A. Suñer ◽  
Jeroni Morey ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Interaction Potential ◽  
Molecular Interaction

The OH radical-H2O molecular interaction potential

2006 ◽  
Vol 124 (22) ◽  
pp. 224318 ◽  
Author(s):  
Shiyu Du ◽  
Joseph S. Francisco ◽  
Gregory K. Schenter ◽  
Tzvetelin D. Iordanov ◽  
Bruce C. Garrett ◽  
...  
Keyword(s):  
Interaction Potential ◽  
Molecular Interaction ◽  
Oh Radical
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