𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A theoretical study on the electronic structure of PYP chromophore in low barrier hydrogen bonding model

✍ Scribed by Hirano, Kenji; Sato, Hirofumi

Book ID
121201009
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
795 KB
Volume
419
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Interstitial water and the formation of
Interstitial water and the formation of low barrier hydrogen bonds: A computational model study
✍ Ka-Un Lao; Timm Lankau; Teng-I Fang; Jian-Wei Zou; Chin-Hui Yu πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 577 KB

## Abstract The B3LYP/D95+(d,p) analysis of the uncharged low barrier hydrogen bond (LBHB) between 4‐methyl‐1__H__‐imidazole (Mim) and acetic acid (HAc) shows that uncharged LBHBs can be formed either by adding three water molecules around the cluster or by placing the Mim–HAc pair in a dielectric