Perspective on diabatic models of chemical reactivity as illustrated by the gas-phase SN2 reaction of acetate ion with 1,2-dichloroethane

Rosendo Valero; Lingchun Song; Jiali Gao; Donald G. Truhlar

doi:10.1021/ct9002459

Perspective on diabatic models of chemical reactivity as illustrated by the gas-phase S_N2 reaction of acetate ion with 1,2-dichloroethane

Rosendo Valero, Lingchun Song, Jiali Gao, Donald G. Truhlar

Chemistry (Twin Cities)

Research output: Contribution to journal › Comment/debate › peer-review

5 Scopus citations

Original language	English (US)
Pages (from-to)	2191
Number of pages	1
Journal	Journal of Chemical Theory and Computation
Volume	5
Issue number	8
DOIs	https://doi.org/10.1021/ct9002459
State	Published - Aug 2009

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10.1021/ct9002459

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title = "Perspective on diabatic models of chemical reactivity as illustrated by the gas-phase SN2 reaction of acetate ion with 1,2-dichloroethane",

author = "Rosendo Valero and Lingchun Song and Jiali Gao and Truhlar, {Donald G.}",

year = "2009",

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AU - Valero, Rosendo

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AU - Gao, Jiali

AU - Truhlar, Donald G.

PY - 2009/8

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DO - 10.1021/ct9002459

M3 - Comment/debate

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SN - 1549-9618

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SP - 2191

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 8

ER -

Perspective on diabatic models of chemical reactivity as illustrated by the gas-phase SN2 reaction of acetate ion with 1,2-dichloroethane

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Perspective on diabatic models of chemical reactivity as illustrated by the gas-phase S_N2 reaction of acetate ion with 1,2-dichloroethane