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

6 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

Publisher link

10.1021/ct9002459

Find It

Find It at U of M Libraries

Cite this

@article{98a31926150f46a89577836858c57ed5,

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",

month = aug,

doi = "10.1021/ct9002459",

language = "English (US)",

volume = "5",

pages = "2191",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "American Chemical Society",

number = "8",

}

TY - JOUR

T1 - Perspective on diabatic models of chemical reactivity as illustrated by the gas-phase SN2 reaction of acetate ion with 1,2-dichloroethane

AU - Valero, Rosendo

AU - Song, Lingchun

AU - Gao, Jiali

AU - Truhlar, Donald G.

PY - 2009/8

Y1 - 2009/8

UR - https://www.scopus.com/pages/publications/73549091263

UR - https://www.scopus.com/pages/publications/73549091263#tab=citedBy

U2 - 10.1021/ct9002459

DO - 10.1021/ct9002459

M3 - Comment/debate

C2 - 26613158

AN - SCOPUS:73549091263

SN - 1549-9618

VL - 5

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

Publisher link

Find It

Other files and links

Cite this

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