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Improved method for evaluation of cellulose degradation

✍ Scribed by Shengi-Li Chen; Lucian A. Lucia

Book ID
106269838
Publisher
Springer
Year
2003
Tongue
English
Weight
217 KB
Volume
49
Category
Article
ISSN
1435-0211

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An improved method for the evaluation of
An improved method for the evaluation of transition states
✍ Peter Scharfenberg πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 475 KB πŸ‘ 1 views

## Abstract A simple but efficient coupled iteration procedure is proposed for searching saddle points and extrema along the line of constrained minimum energy paths by (analytical) calculation of the derivatives, i.e., the reduced forces and reduced force constants. The advantage of the method is