Structure and dynamics of associated molecular systems. I. Computer simulation of liquid hydrogen fluoride

1979 ◽  
Vol 71 (1) ◽  
pp. 298-308 ◽  
Author(s):  
Michael L. Klein ◽  
Ian R. McDonald
Keyword(s):  
Computer Simulation ◽  
Hydrogen Fluoride ◽  
Liquid Hydrogen ◽  
Molecular Systems ◽  
Structure And Dynamics

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

Synthesis of oxytocin, arginine-vasopressin and its deamino-analogue using 2,4,6-trimethylbenzyl group for protection of the cysteine sulfur

1981 ◽  
Vol 46 (1) ◽  
pp. 286-299 ◽  
Author(s):  
František Brtník ◽  
Milan Krojidlo ◽  
Tomislav Barth ◽  
Karel Jošt
Keyword(s):  
Peptide Synthesis ◽  
Hydrogen Fluoride ◽  
Sulfur Atom ◽  
Arginine Vasopressin ◽  
Liquid Hydrogen ◽  
Trifluoromethanesulfonic Acid ◽  
Protecting Groups ◽  
Mild Conditions

Preparation of oxytocin, arginine-vasopressin and its deamino-analogue serves as an example of use of 2,4,6-trimethylbenzyl group for protection of the cysteine sulfur atom in the peptide synthesis. This modified benzyl group is sufficiently stable under conditions of solvolytic removal of common amino-protecting groups and it can be cleaved off under mild conditions with liquid hydrogen fluoride or trifluoromethanesulfonic acid.

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.

scholarly journals Simple Molecular Systems at Very High Pressures: Computer simulation studies.

1998 ◽  
Vol 7 ◽  
pp. 172-177 ◽  
Author(s):  
Guido L. Chiarotti ◽  
F. Ancilotto ◽  
M. Bernasconi ◽  
S. Bernard ◽  
C. Cavazzoni ◽  
...  
Keyword(s):  
Computer Simulation ◽  
High Pressures ◽  
Simulation Studies ◽  
Molecular Systems ◽  
Computer Simulation Studies ◽  
Very High

Reactions of C-terminal ω-amino acid residues in liquid hydrogen fluoride

2009 ◽  
Vol 42 (1) ◽  
pp. 10-13 ◽  
Author(s):  
MARIA A. BEDNAREK ◽  
JAMES P. SPRINGER ◽  
BARRY R. CUNNINGHAM ◽  
AMY M. BERNICK ◽  
MIKLOS BODANSZKY
Keyword(s):  
Amino Acid ◽  
Hydrogen Fluoride ◽  
Liquid Hydrogen ◽  
Amino Acid Residues
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