๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ensembles of hydrogen bonds in liquids, ice nuclei, and in computer modeling

โœ Scribed by Yu.Ya. Efimov

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
652 KB
Volume
237
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Secondary hydrogen-bonding effects on th
Secondary hydrogen-bonding effects on the nuclear magnetic shielding of the hydrogen nuclei in ice: An ab initio quantum-mechanical study
โœ J.F. Hinton; D.L. Bennett ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 235 KB

The chemical shift anisotropy and the isotropic magnetic shielding constant of the hydrogen nuclei in the (H,O),. (H20)3, (H,O), and H,O systems have been calculated using ab initio quantum-mechanical techniques. The results show that secondary hydrogen bonding has a significant effect on these two

Cooperative polarisation in ice Ih and t
Cooperative polarisation in ice Ih and the unusual strength of the hydrogen bond
โœ Malcolm I. Heggie; Christopher D. Latham; Stephen C.P. Maynard; R. Jones ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 387 KB

Cooperative polarisation in ice I h is illustrated in clusters of eight molecules using local density functional calculations where the exchange-correlation functional is a modified Ceperley-Alder expression. These parameter-free total energy calculations support the four-point charge/polarisable po