Can Anti-Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity?: Correspondence on “Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State”

Peter Borislavov Karadakov; Shohei Saito

doi:10.1002/anie.202001934

Can Anti-Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity? Correspondence on “Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State”

Peter Borislavov Karadakov, Shohei Saito

Chemistry

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	9228-9230
Journal	Angewandte Chemie International Edition
Volume	59
Issue number	24
Early online date	8 May 2020
DOIs	https://doi.org/10.1002/anie.202001934
Publication status	Published - 8 Jun 2020

Bibliographical note

© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details.

Access to Document

10.1002/anie.202001934

Comment on antiaufbau NICS
© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details.
Accepted author manuscript, 30.5 KBLicence: Unspecified

Peter Borislavov Karadakov
- peter.karadakovyork.acuk
- Chemistry - Professor of Theoretical Chemistry
Person: Academic

Cite this

@article{245de9374bf7451d88499f998fdaef80,

title = "Can Anti-Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity?: Correspondence on “Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State”",

author = "Karadakov, {Peter Borislavov} and Shohei Saito",

note = "{\textcopyright} 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. This is an author-produced version of the published paper. Uploaded in accordance with the publisher{\textquoteright}s self-archiving policy. Further copying may not be permitted; contact the publisher for details. ",

year = "2020",

month = jun,

day = "8",

doi = "10.1002/anie.202001934",

language = "English",

volume = "59",

pages = "9228--9230",

journal = "Angewandte Chemie International Edition",

issn = "1433-7851",

publisher = "Wiley-Blackwell",

number = "24",

}

Can Anti-Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity? Correspondence on “Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State”. / Karadakov, Peter Borislavov; Saito, Shohei.
In: Angewandte Chemie International Edition, Vol. 59, No. 24, 08.06.2020, p. 9228-9230.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Can Anti-Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity?

T2 - Correspondence on “Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State”

AU - Karadakov, Peter Borislavov

AU - Saito, Shohei

N1 - © 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details.

PY - 2020/6/8

Y1 - 2020/6/8

U2 - 10.1002/anie.202001934

DO - 10.1002/anie.202001934

M3 - Article

SN - 1433-7851

VL - 59

SP - 9228

EP - 9230

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

IS - 24

ER -

Can Anti-Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity? Correspondence on “Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State”

Bibliographical note

Access to Document

Profiles

Peter Borislavov Karadakov

Cite this