DFT and CBS study of ethyl acetate conformers in the neutral hydrolysis

First-principles calculations are commonly used to search for possible transition states in reaction kinetics studies, which are such a challenge to observe experimentally. However, computationally studying the reaction is also challenging because of, inter alia, the Basis Set Incompleteness Error (...

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Bibliographic Details

Main Authors:	Vera Khoirunisa, Rusydi, Febdian, Roichatul Madinah, Dipojono, Hermawan Kresno, Ahmad, Faozan, Mudasir, Ira Puspitasari, Azizan Ahmad
Format:	Article
Language:	en
Published:	Penerbit Universiti Kebangsaan Malaysia 2022
Online Access:	http://journalarticle.ukm.my/20240/1/13.pdf http://journalarticle.ukm.my/20240/ https://www.ukm.my/jsm/malay_journals/jilid51bil7_2022/KandunganJilid51Bil7_2022.html
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