DFT Study of Methanol with Catechol and Hydroquinone molecule

Abstract: Computational study using Gaussian 09W software, DFT method, B3LYP 6-31(G)d as basis set was performed on Window-7, Intel core i5 system. Theoretical study of experimental molecules and their combinations were optimized to understand the fundamental interactions between methanol with Catechol and hydroquinone. Data obtained is applicable in the field of solution chemistry.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-10-11
DOI
https://doi.org/10.5281/zenodo.14090247
Primary Topic
Amino Acid Enzymes and Metabolism
Type
article
Field-Weighted Citation Impact
0.00
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article

DFT Study of Methanol with Catechol and Hydroquinone molecule

Zenodo (CERN European Organization for Nuclear Research)
Amino Acid Enzymes and Metabolism
article

DFT Study of Methanol with Catechol and Hydroquinone molecule

article en

Abstract

Abstract: Computational study using Gaussian 09W software, DFT method, B3LYP 6-31(G)d as basis set was performed on Window-7, Intel core i5 system. Theoretical study of experimental molecules and their combinations were optimized to understand the fundamental interactions between methanol with Catechol and hydroquinone. Data obtained is applicable in the field of solution chemistry.

Zenodo (CERN European Organization for Nuclear Research)
Malta College of Arts, Science and Technology (MT)
Openalex Percentile: Top 61%
Amino Acid Enzymes and Metabolism
DOIOpen Access PDFOpenAlex
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DFT Study of Methanol with Catechol and Hydroquinone molecule · Zenodo (CERN European Organization for Nuclear Research) (2024) | TGRS Research Map | TGRS