Recent Changes - Search:

edit SideBar

Transition-state Search Using Analytic Gradients

input, FCM file (from a HF-SCF/3-21G calculation), and output for transition-state search at MP2 level using analytic gradients (Cerjan-Miller eigenvector following method (see J. Chem. Phys. 75, 2800 (1981))

Edit - History - Print - Recent Changes - Search
Page last modified on November 29, 2010, at 04:20 PM
This page has been visited 64 times since December 2010.
CFOUR is partially supported by the U.S. National Science Foundation.