ARTICLE
|
doi:10.20944/preprints202306.0967.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Lumefantrine; Anti-malarial activity; Spectral analysis; HOMO-LUMO; Molecular structure
Online: 14 June 2023 (03:28:53 CEST)
ARTICLE
|
doi:10.20944/preprints202212.0329.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
Mixed-Ligands; DFT Calculations; HOMO; LUMO; Antimicrobial; Antioxidant Assays; and Molecular Docking Analysis
Online: 19 December 2022 (07:43:08 CET)
ARTICLE
|
doi:10.20944/preprints202107.0215.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
DFT; HOMO; LUMO; MEP; FMO; RDG; ADMET
Online: 9 July 2021 (10:22:59 CEST)
ARTICLE
|
doi:10.20944/preprints202105.0039.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
antifungal activity; Candida albicans; antibiofilm effect; mode of action; cytotoxicity; hemolytic assay; HOMO-LUMO; molecular electrostatic potential
Online: 5 May 2021 (12:04:01 CEST)
REVIEW
|
doi:10.20944/preprints201906.0118.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
beef tallow biodiesel; fatty acid esters; atomic charge; molecular dipole moment; HOMO-LUMO energy gap; electrostatic potential
Online: 13 June 2019 (09:37:39 CEST)