Theoretical insights into the properties of the borazine… X- complexes (X- = H, F, Cl, CN, NC or NCO)
The character of the NH ...X- (X- = H, F, Cl, CN, NC or NCO) interactions of borazine with anions was studied using ab initio method. The interaction energies were calculated at the B3LYP/6-311++G(d,p) level. The energetic and geometric characteristics of the complexes were compared. The 'atoms...
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| Format: | Article |
| Language: | English |
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Serbian Chemical Society
2009-01-01
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| Series: | Journal of the Serbian Chemical Society |
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| Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2009/0352-51390910105G.pdf |