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Integrals for non-Born–Oppenheimer calculations of molecules with three nuclei

✍ Scribed by Bednarz *, Eugeniusz; Bubin, Sergiy; Adamowicz, Ludwik

Book ID
120945685
Publisher
Taylor and Francis Group
Year
2005
Tongue
English
Weight
227 KB
Volume
103
Category
Article
ISSN
0026-8976

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✍ Bin Li; Tian-Shu Chu; Ke-Li Han 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 587 KB

## Abstract A theoretical investigation of the nonadiabatic processes that are involved in the full three‐dimensional D+H~2~, H+D~2~, D^+^+H~2~, and H^+^+D~2~ reaction systems has been performed using the method of coherence switching with decay of mixing (CSDM) developed by Truhlar and coworkers.