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A tunable QM/MM approach to chemical reactivity,structure and physico-chemical properties prediction |
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| Authors: | Piero Altoè Marco Stenta Andrea Bottoni Marco Garavelli |
| Institution: | (1) Dipartimento di Chimica ‘G. Ciamician’, Universita’ di Bologna, Via F. Selmi, 2, 40126 Bologna, Italy;(2) INSTM, UdR Bologna, Bologna, Italy;(3) Dipartimento di Chimica“A. Mangini”, Universita’ di Bologna, Via San Giacomo, 11, 40126 Bologna, Italy |
| Abstract: | |
| Keywords: | QM/MM Reaction mechanisms Solvation Spectroscopy Super/supra-molecules Enzymatic processes |
| 本文献已被 SpringerLink 等数据库收录！ | |