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Proton transfer and solitonic excitations in model one-dimensional hydrogen-bonded systems

โœ Scribed by P. Misiak; H. Chojnacki

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
214 KB
Volume
36
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES

Proton transfer in model hydrogen-bonded
Proton transfer in model hydrogen-bonded systems by a density functional approach
โœ Vincenzo Barone; Laura Orlandini; Carlo Adamo ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 558 KB

The structures, interaction energies and proton transfer features of two water complexes, namely H402 and H50$, have been determined using density functionals, which incorporate gradient corrections and some Hartree-Fock exchange. The method is validated by comparison with the available experimental