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Quantum effects of hydrogen nuclei on a structure and a dynamical rearrangement of hydrogen-bond networks

โœ Scribed by Hyeon-Deuk, Kim


Book ID
122134958
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
927 KB
Volume
200
Category
Article
ISSN
0167-7322

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Quantum effects on the structure and ene
โœ Rรฉgis Pomรจs; Benoรฎt Roux ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 646 KB

Computer simulations of a protonated, linear cluster of four hydrogen-bonded water molecules, (O4H9) +, are reported. The potential energy surface governing the motion of the nuclei was described with the polarization model of Stillinger and co-workers. The quantization of all the hydrogen nuclei wa