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Optimal parameters in the HSS-like methods for saddle-point problems

✍ Scribed by Zhong-Zhi Bai

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
272 KB
Volume
16
Category
Article
ISSN
1070-5325

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A new method to locate saddle points for
A new method to locate saddle points for reactions in solution by using the free-energy gradient method and the mean field approximation
✍ I. Fdez. GalvΓ‘n; M. E. MartΓ­n; M. A. Aguilar πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 105 KB πŸ‘ 1 views

## Abstract A new method for calculating saddle points of reactions in solution is presented. The main characteristics of the method are: (1) the solute–solvent system is described by the averaged solvent electrostatic potential/molecular dynamics method (ASEP/MD). This is a quantum mechanics/molec