The solvent effect on two competing reaction mechanisms involving hypervalent iodine reagents (&#955;(3)-iodanes): facing the limit of the stationary quantum chemical approach.

Sala, Oliver; Lüthi, Hans Peter; Togni, Antonio

The solvent effect on two competing reaction mechanisms involving hypervalent iodine reagents (λ(3)-iodanes): facing the limit of the stationary quantum chemical approach.

Sala, Oliver; Lüthi, Hans Peter; Togni, Antonio.

Afiliação

Sala O; ETH Zurich, Laboratorium für Physikalische Chemie, Vladimir-Prelog-Weg 2, 8093, Zurich, Switzerland; ETH Zurich, Laboratorium für Anorganische Chemie, Vladimir-Prelog-Weg 2, 8093, Zurich, Switzerland.

J Comput Chem ; 35(29): 2122-31, 2014 Nov 05.

Article em En | MEDLINE | ID: mdl-25220398

Palavras-chave

cluster-continuum model; competing reaction mechanisms; hypervalent bonding; iodanes; solvent effect

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Ano de publicação: 2014 Tipo de documento: Article

Texto completo

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PubMed Links

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Ano de publicação: 2014 Tipo de documento: Article