QM AND AB INITIO INVESTIGATION ON THE HYDROGEN BONDING, NMR CHEMICAL SHIFTS AND SOLVENT EFFECTS ON THE DPPE
The hydrogen bonding effects that were produced from interaction of membrane lipid dipalmitoylphosphatidyl-ethanolamine (DPPE) with 1-5 water molecules, has been theoretically investigated through the quantum mechanical calculations at the Hartree-Fock level of theory and the 3-21G, 6-31G and 6-31G...
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| Published in: | Indonesian journal of chemistry Vol. 7; no. 3; pp. 260 - 272 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
Department of Chemistry, Universitas Gadjah Mada
20.06.2010
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| ISSN: | 1411-9420, 2460-1578 |
| Online Access: | Get full text |
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