The Glycine–Water Complex
✍ Scribed by José L. Alonso; Emilio J. Cocinero; Alberto Lesarri; M. Eugenia Sanz; Juan C. López
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 168 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0044-8249
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Hydrogen-bond energies and geometric structures for the 1: 1 cyclic complexes of water with the three possible conformers of glycine have been determined. Ab initio gradient optimization at the self-consistent field (SCF) level in a double-zeta plus polarization-functions basis set was followed by s
More than a dozen stationary points on the potential energy surface for the 1 : 1 glycine zwitterion-water complex have been investigated at Hartree-Fock or MP2 levels of theory with basis sets ranging from split valence (4-31G) to split valence plus polarization and diffuse function (6-31 + + G\*\*
The rotational spectra of aniline-water and its 18O isotopomer have been studied in the microwave region between 3 and 26.5 GHz using a pulsed molecular beam FT microwave spectrometer. The spectra were described in terms of a centrifugally distorted asymmetric rotor. Assuming a linear hydrogen Nelli
## Abstract Thermodynamic stability of metal–aminoacid complexes in water is discussed in terms of the Gibbs free energy of water–ligand exchange processes, and the electronic stabilizing factors thoroughly investigated by means of 1‐electron and 2‐electron density properties. Hexacoordinated compl