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Theoretical investigation on the oxazaborolidine-ketone interaction in small model systems |
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| Authors: | Giuliano Alagona Caterina Ghio Simone Tomasi |
| Affiliation: | (1) CNR-IPCF, Molecular Modeling Lab., Istituto per i Processi Chimico-Fisici, Via Moruzzi 1, 56124 Pisa, Italy;(2) Dipartimento di Chimica e Chimica Industriale, Via Risorgimento 35, 56126 Pisa, Italy |
| Abstract: | |
| Keywords: | BSSE Deformation energy Association energy Ab initio/DFT THF solvation |
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