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Computational procedures for optimal experimental design in biological systems

✍ Scribed by Balsa-Canto, E.; Alonso, A.A.; Banga, J.R.

Book ID
117813236
Publisher
The Institution of Engineering and Technology
Year
2008
Tongue
English
Weight
360 KB
Volume
2
Category
Article
ISSN
1751-8849

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## Abstract A computational scheme based on a β€œmixed basis set” approach is applied to the study of the structure and the energetics in proton transfer systems. Five hydrogen‐bonded systems of the type (CH~3~H~n~A β€₯ H β€₯ BH~m~CH~3~)^+^, where A and B can be N, O, or S, have been investigated with va