Density functional computations of proto
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T. Marino; N. Russo; E. Tocci; M. Toscano
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Article
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2001
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John Wiley and Sons
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English
⚖ 211 KB
## Abstract An Erratum has been published for this article in Journal of Mass Spectrometry 37(2) 2002, 232. The proton affinity and gas‐phase basicity of proline were evaluated by using density functional theory coupling the B3‐LYP hybrid functional with the extended 6–311++G\*\* basis set. __Cis_