Can an OH radical form a strong hydrogen bond? A theoretical comparison with H2O
In this study, we apply UCCSD/6-31++G** to investigate the ability of an OH radical acting as a hydrogen bond acceptor with HF, HCl, and H(2)O (HO...HX; X=F, Cl, OH) or as a hydrogen bond donor with H(2)O and H(2)S (OH...XH(2); X=O and S). We also replace OH with H(2)O and make a fair comparison bet...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 28(2007), 8 vom: 30. Juni, Seite 1357-63 |
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| Format: | Aufsatz |
| Sprache: | English |
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2007
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Comparative Study Journal Article Research Support, Non-U.S. Gov't Free Radicals Hydroxides Water 059QF0KO0R hydroxide ion 9159UV381P |