Molecular mechanics (MM4) calculations on conjugated hydrocarbons.

Neysa Nevins Jenn-Huei Lii Norman L. Allinger

Published in: J. Comput. Chem. (1996)

Keyphrases

rms error
dna computing
average error
molecular dynamics
real world
information systems
quantum mechanics
neural network
three dimensional
registration errors
cross section
drug discovery
sequence analysis
clinical setting
root mean square
molecular structures