The Reliability of Quantum Mechanical Predictions of Chemical Reactivity | Zendy

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The Reliability of Quantum Mechanical Predictions of Chemical Reactivity

Author(s) -

Klopman Gilles

Publication year - 1980

Publication title -

israel journal of chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.908

H-Index - 54

eISSN - 1869-5868

pISSN - 0021-2148

DOI - 10.1002/ijch.198000040

Subject(s) - chemistry , reactivity (psychology) , quantum chemical , reliability (semiconductor) , quantum , computational chemistry , mechanism (biology) , hydrogen , reaction mechanism , chemical physics , organic chemistry , thermodynamics , molecule , catalysis , quantum mechanics , medicine , power (physics) , physics , alternative medicine , pathology

The reliability of the predictions of quantum mechanical methods is critically examined in selected areas of chemical reactivity. Several examples are discussed, including the mechanism and conformation of reaction products, the stability of carbocationic intermediates and the formation of hydrogen bonded species.

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