Addition-elimination or nucleophilic substitution? Understanding the energy profiles for the reaction of chalcogenolates with dichalcogenides.

M. Bortoli; L.P. Wolters; L. Orian; F.M. Bickelhaupt

doi:10.1021/acs.jctc.6b00253

Addition-elimination or nucleophilic substitution? Understanding the energy profiles for the reaction of chalcogenolates with dichalcogenides.

M. Bortoli
, L.P. Wolters
, L. Orian
, F.M. Bickelhaupt

AIMMS

Research output: Contribution to Journal › Article › Academic › peer-review

Original language	English
Pages (from-to)	2752-2761
Journal	Journal of Chemical Theory and Computation
Volume	12
DOIs	https://doi.org/10.1021/acs.jctc.6b00253
Publication status	Published - 2016

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10.1021/acs.jctc.6b00253

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Cite this

@article{1adf121cb92345ef986dcf9ea746a3fb,

title = "Addition-elimination or nucleophilic substitution? Understanding the energy profiles for the reaction of chalcogenolates with dichalcogenides.",

author = "M. Bortoli and L.P. Wolters and L. Orian and F.M. Bickelhaupt",

year = "2016",

doi = "10.1021/acs.jctc.6b00253",

language = "English",

volume = "12",

pages = "2752--2761",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "American Chemical Society",

}

TY - JOUR

T1 - Addition-elimination or nucleophilic substitution? Understanding the energy profiles for the reaction of chalcogenolates with dichalcogenides.

AU - Bortoli, M.

AU - Wolters, L.P.

AU - Orian, L.

AU - Bickelhaupt, F.M.

PY - 2016

Y1 - 2016

U2 - 10.1021/acs.jctc.6b00253

DO - 10.1021/acs.jctc.6b00253

M3 - Article

SN - 1549-9618

VL - 12

SP - 2752

EP - 2761

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

ER -