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The importance of multiple-quantum transitions on the dissociation constant of hydrogen in an inert gas

✍ Scribed by G.B. Sørensen

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
389 KB
Volume
14
Category
Article
ISSN
0009-2614

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✦ Synopsis

In a calculation of the dissociation constant of hydrogen in arpn, it is shown that multiplequantum transitions are importint near the dissociation limit. The transition probabilities between the vibrational states are obtained by Nth order semi-classical perturbation theory. Reasonable grcement with experimentally determined values of the dissociation constant is obtained.

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Multiple pathways in conformational tran
Multiple pathways in conformational transitions of the alanine dipeptide: An application of dynamic importance sampling
✍ Hyunbum Jang; Thomas B. Woolf 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 327 KB 👁 1 views

## Abstract We present multiple dynamic transition pathways on the two‐dimensional dihedral plane between conformational states of the alanine dipeptide. The method used in this study is dynamic importance sampling (DIMS). To perform DIMS, unbiased molecular dynamic simulations are used to generate