Dynamic control of topological asymmetry:
List of abbreviations and definitions


Abbreviation Chemical Name
TPA tris((2-pyridyl)-methyl)amine
a-MeTPA bis((2-pyridyl)methyl)-(1-(2-pyridyl)ethyl)amine
a-PhTPA bis((2-pyridyl)methyl)-(phenyl-(2-pyridyl)methyl)amine
a-MeBQPA bis((2-quinolyl)methyl)-(1-(2-pyridyl)ethyl)amine

Diagram showing the possible propeller orientations

[Diagram showing the lambda and <font face=symbol>d</font> twists]

Diagram showing the possible syn/anti orientations of the substituent

[Diagram showing the anti and syn orientations of the substituent]

Miscellaneous abbreviations and definitions

MacroModel implementation of the AMBER forcefield, with additional parameters.
Circular Dichroism.
Mixed mode dynamics method that will perform a MonteCarlo (MC) step for a given number of stochastic dynamic (SD) steps. Algorithm implemented in MacroModel 4.5.
Modified Neglect of Differential Overlap. A semi-empirical method.

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Page maintained by Jesus M. Castagnetto, [Send e-mail to author] [jesus@canarylab.chem.nyu.edu]. Last Updated: Saturday, June 01, 1996