𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Nuclear quantum effect on intramolecular hydrogen bond of hydrogen maleate anion: An ab initio path integral molecular dynamics study

✍ Scribed by Kawashima, Yukio; Tachikawa, Masanori


Book ID
120328723
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
706 KB
Volume
571
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Secondary hydrogen-bonding effects on th
✍ J.F. Hinton; D.L. Bennett πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 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