The location of transition states: A comparison of Cartesian, Z-matrix, and natural internal coordinates.

Jon Baker Fora Chan

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

Keyphrases

singular value decomposition
state transition
internal states
least squares
case study
search algorithm
location based services
state transitions
data sets
covariance matrix
finite state machines
linear algebra
projection matrix
transition matrix