Chemical shift driven geometry optimization.

Raiker Witter Wolfram Prie Ulrich Sternberg

Published in: J. Comput. Chem. (2002)

Keyphrases

data driven
global optimization
optimization problems
optimization algorithm
constrained optimization

optimization process
real time
combinatorial optimization
website
optimal design

optimization methods
optimization strategies
joint optimization
optimization method

evolutionary algorithm
expert systems
objective function
three dimensional