We have studied the system NH3.. . H' . . . HN= CH-CH=CH2, which is a model for an enzymatic site characterized by an important pi-electron contribution, with the aim of contributing to the molecular orbital theory of H-bridge formation and proton transfer. A b initio canonical orbitals from STO-3G
โฆ LIBER โฆ
Atomic orbitals in the ab initio analysis of imidazole H-bonding
โ Scribed by Felice Zuccarello; Giuseppe Buemi; Giuseppe Del Re
- Book ID
- 119117099
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 800 KB
- Volume
- 169
- Category
- Article
- ISSN
- 0166-1280
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