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Generalized gradient method for the determination of (ɛ+μ, ɛ+μ)-saddle points

✍ Scribed by V. G. Kurbanov

Publisher
Springer US
Year
1986
Tongue
English
Weight
399 KB
Volume
21
Category
Article
ISSN
1573-8337

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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. Galván; M. E. Martín; M. A. Aguilar 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 105 KB 👁 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