Structure and dynamics of associated molecular systems. III. Computer simulation of liquid hydrogen chloride

1980 ◽  
Vol 72 (10) ◽  
pp. 5710-5717 ◽  
Author(s):  
Ian R. McDonald ◽  
Séamus F. O’Shea ◽  
David G. Bounds ◽  
Michael L. Klein
Keyword(s):  
Computer Simulation ◽  
Hydrogen Chloride ◽  
Liquid Hydrogen ◽  
Molecular Systems ◽  
Structure And Dynamics

A computer simulation for a simple model of liquid hydrogen chloride

1979 ◽  
Vol 38 (3) ◽  
pp. 893-908 ◽  
Author(s):  
J.G. Powles ◽  
W.A.B. Evans ◽  
E. McGrath ◽  
K.E. Gubbins ◽  
S. Murad
Keyword(s):  
Computer Simulation ◽  
Simple Model ◽  
Hydrogen Chloride ◽  
Liquid Hydrogen

Graph theory approach

1983 ◽  
Vol 48 (8) ◽  
pp. 2097-2117 ◽  
Author(s):  
Vladimír Kvasnička
Keyword(s):  
Organic Chemistry ◽  
Computer Simulation ◽  
Graph Theory ◽  
Chemical Reaction ◽  
Molecular System ◽  
Theory Approach ◽  
Molecular Systems

A graph-theory formalism of the organic chemistry is suggested. The molecular system is considered as a multigraph with loops, the vertices are evaluated by their mapping onto the vocabulary of vertex labels (e.g. atomic symbols). A multiedge of multiplicity t corresponds to a t-tuple (single, double, triple, etc) bond. The chemical reaction of molecular systems is treated by the transformation of graphs. The suggested graph-theory approach allows to formalize many notions and concepts that are naturally emerging in the computer simulation of organic chemistry.

The behaviour of some organophosphorus(V) compounds in liquid hydrogen chloride — A 31P NMR study

1981 ◽  
Vol 43 (11) ◽  
pp. 2665-2666 ◽  
Author(s):  
Keith B. Dillon ◽  
Thomas C. Waddington ◽  
David Younger
Keyword(s):  
Hydrogen Chloride ◽  
31P Nmr ◽  
Liquid Hydrogen ◽  
Nmr Study

A computer simulation for model fluid hydrogen chloride

1985 ◽  
Vol 56 (2) ◽  
pp. 431-443 ◽  
Author(s):  
S. Murad ◽  
A. Papaioannou ◽  
J.G. Powles
Keyword(s):  
Computer Simulation ◽  
Hydrogen Chloride ◽  
Model Fluid
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