A comprehensive study of experimental and theoretical characterization and <i>in silico</i> toxicity analysis of new molecules-Reference-Cited by-同舟云学术

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A comprehensive study of experimental and theoretical characterization and in silico toxicity analysis of new molecules

Published:2024-05-17 Issue: Volume: Page:1-15
ISSN:0148-0545
Container-title:Drug and Chemical Toxicology
language:en
Short-container-title:Drug and Chemical Toxicology

Author:

Çankaya Nevin¹^ORCID,Kebiroğlu Mehmet Hanifi²^ORCID,Temüz Mehmet Mürşit³^ORCID

Affiliation:

1. Vocational School of Health Services, Usak University, Usak, Turkey

2. Department of Opticianry, Darende Bekir Ilicak Vocational School, Malatya Turgut Ozal University, Malatya, Turkey

3. Department of Chemistry, Faculty of Science, Firat University, Elazığ, Turkey

Publisher

Informa UK Limited

Link

https://www.tandfonline.com/doi/pdf/10.1080/01480545.2024.2353724

Reference57 articles.

1. In-situ synthesis of dinuclear Iron (III) complex; Crystal structure, DFT calculations, Hirshfield surface analysis, and molecular docking

2. DFT (B3LYP/LanL2DZ and B3LYP/6311G+(d,p)) comparative vibrational spectroscopic analysis of organic–inorganic compound bis(4-acetylanilinium) tetrachlorocuprate(II)

3. Spectral (FT-IR, FT-Raman, UV, and fluorescence), DFT, and solid state interaction analyses of (E)-4-(3,4-dimethoxybenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

4. Understanding non-covalent interactions in larger molecular complexes from first principles

5. Predicting the Bioconcentration Factor in Fish from Molecular Structures

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