The Shapes of Protons in Hydrogen Bonds Depend on the Bond Length
✍ Scribed by Magali Benoit; Dominik Marx
- Publisher
- John Wiley and Sons
- Year
- 2005
- Tongue
- English
- Weight
- 107 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1439-4235
No coin nor oath required. For personal study only.
✦ Synopsis
Dedicated to Professor Michele Parrinello on the occasion of his 60th birthday.
📜 SIMILAR VOLUMES
## Abstract A study is presented of the dependence on conformation of one‐bond carbon‐proton coupling constants in three 1‐4‐linked disaccharides. Calculated ^1^__J__(CH) values are based on the FPT formulation in the semi‐empirical INDO MO method. The configuration at the anomeric carbon influence
A theoretical study is presented of the dependence on conformation of 'Jc-and 'Jc,a values in model compounds related to glycosides. Calculated J values for dimethoxymethane and 2-methoxytetrahydropyran are based on the FPT formulation in the semiempirical INDO method. The configuration at the anome
The energy levels and wavefunctions of the protons of the hydrogen bonds in DNA base pairs are numerically wlculated for a s&es of adiabatic potential awes. The phenomenon of the swxlled proton tunnelling is discussed.
Proton (deuteron) transfer ofhydrogen bonds in benzoic, glutark and pformylbenzoic acids was studied by proton (deuteron) T, measurements. Deuteration of carboxylic protons was found to increase the barriers to classical proton jumping as well as quantum-mechanical tunneling. The former barriers inc