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) in-teractions 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 in m...
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| Format: | Article |
| Language: | English |
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Serbian Chemical Society
2009-09-01
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| Series: | Journal of the Serbian Chemical Society |
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| Online Access: | http://www.shd.org.rs/JSCS/Vol74/No10/09_4345_3904.pdf |