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

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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:	English
Published:	Penerbit Universiti Kebangsaan Malaysia 2022
Online Access:	http://journalarticle.ukm.my/20240/ http://journalarticle.ukm.my/20240/1/13.pdf

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