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Quantum chemical calculation of the force field of ammonia inδºcoordinates

✍ Scribed by A. V. Belik; V. A. Shlyapochnikov

Book ID
112442360
Publisher
Springer
Year
1985
Tongue
English
Weight
370 KB
Volume
34
Category
Article
ISSN
1573-9171

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## Abstract The free energy landscapes of peptide conformations were calibrated by __ab initio__ quantum chemical calculations, after the enhanced conformational diversity search using the multicanonical molecular dynamics simulations. Three different potentials of mean force for an isolated dipept