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Alternativeness of ester synthesis reaction mechanism: a case study of propyl acetate. / Toikka, Alexander; Petrov, Andrey.

In: Mendeleev Communications, Vol. 34, No. 1, 19.07.2024, p. 134-136.

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

Harvard

Toikka, A & Petrov, A 2024, 'Alternativeness of ester synthesis reaction mechanism: a case study of propyl acetate', Mendeleev Communications, vol. 34, no. 1, pp. 134-136. https://doi.org/10.1016/j.mencom.2024.01.041

APA

Toikka, A., & Petrov, A. (2024). Alternativeness of ester synthesis reaction mechanism: a case study of propyl acetate. Mendeleev Communications, 34(1), 134-136. https://doi.org/10.1016/j.mencom.2024.01.041

Vancouver

Toikka A, Petrov A. Alternativeness of ester synthesis reaction mechanism: a case study of propyl acetate. Mendeleev Communications. 2024 Jul 19;34(1):134-136. https://doi.org/10.1016/j.mencom.2024.01.041

Author

Toikka, Alexander ; Petrov, Andrey. / Alternativeness of ester synthesis reaction mechanism: a case study of propyl acetate. In: Mendeleev Communications. 2024 ; Vol. 34, No. 1. pp. 134-136.

BibTeX

@article{eccfdaae4d0b42fdb0bcacddec9cd7ca,
title = "Alternativeness of ester synthesis reaction mechanism: a case study of propyl acetate",
abstract = "The mechanism of the esterification reaction without the use of acid as a catalyst was examined using the AIMD method. A dissociative mechanism for the interaction of acid and alcohol without the formation of a transition state has been proposed.",
keywords = "AIMD, DFT, esterification, molecular dynamics, propyl acetate",
author = "Alexander Toikka and Andrey Petrov",
year = "2024",
month = jul,
day = "19",
doi = "10.1016/j.mencom.2024.01.041",
language = "English",
volume = "34",
pages = "134--136",
journal = "Mendeleev Communications",
issn = "0959-9436",
publisher = "Elsevier",
number = "1",

}

RIS

TY - JOUR

T1 - Alternativeness of ester synthesis reaction mechanism: a case study of propyl acetate

AU - Toikka, Alexander

AU - Petrov, Andrey

PY - 2024/7/19

Y1 - 2024/7/19

N2 - The mechanism of the esterification reaction without the use of acid as a catalyst was examined using the AIMD method. A dissociative mechanism for the interaction of acid and alcohol without the formation of a transition state has been proposed.

AB - The mechanism of the esterification reaction without the use of acid as a catalyst was examined using the AIMD method. A dissociative mechanism for the interaction of acid and alcohol without the formation of a transition state has been proposed.

KW - AIMD

KW - DFT

KW - esterification

KW - molecular dynamics

KW - propyl acetate

UR - https://www.mendeley.com/catalogue/4eddfe36-42cd-3293-a8a7-38ee622b5e5c/

U2 - 10.1016/j.mencom.2024.01.041

DO - 10.1016/j.mencom.2024.01.041

M3 - Article

VL - 34

SP - 134

EP - 136

JO - Mendeleev Communications

JF - Mendeleev Communications

SN - 0959-9436

IS - 1

ER -

ID: 122276281