On the Use of the Electrostatic Molecular Potential in Theoretical Investigations on Chemical Reactivity
作者： Jacopo Tomasi
DOI: 10.1007/978-94-009-9516-1_9
关键词:
摘要: The validity and the limits of methods which use electrostatic molecular potential for study chemical reactivity are discussed. logical connection these with complete calculation reactive interaction energy to large family indexes is analyzed. A tentative classification reactions in a few groups where approximation may play different role presented, review given most outstanding results thus far obtained, special emphasis hydrogen bonding, interactions an atomic cation, SE2 SN2 reactions, photochemical reactions. Finally practical greatly reduce computation time respect more straightforward applications presented.
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