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Elongated Dihydrogen Complexes: What Remains of the H—H Bond?

✍ Scribed by D. Michael Heinekey; Agusti Lledos; Jose M. Lluch


Publisher
John Wiley and Sons
Year
2004
Weight
52 KB
Volume
35
Category
Article
ISSN
0931-7597

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The structure of glycine-water H-bonded
✍ Harold Basch; Walter J. Stevens 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 472 KB

Hydrogen-bond energies and geometric structures for the 1: 1 cyclic complexes of water with the three possible conformers of glycine have been determined. Ab initio gradient optimization at the self-consistent field (SCF) level in a double-zeta plus polarization-functions basis set was followed by s