Estudo ab-initio da a-alanina em meio aquoso
Ab initio Hartree-Fock (HF), Density Functional (B3LYP) and electron correlation (MP2) methods have been used to caracterize the aqueous medium intramolecular hydrogen bond in <FONT FACE="Symbol">a</font>-alanine. The 6-31G* and 6-31++G** were taken from Gaussian94 library. We...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Sociedade Brasileira de Química
1999-01-01
|
| Series: | Química Nova |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421999000400006 |