Chemistry Projects about DFT STUDIES

Be₂C monolayer for sensing of COVID-19 biomarkers and drug delivery: A DFT study

Be₂C monolayer for sensing of COVID-19 biomarkers and drug delivery: A DFT study

May 10, 2025 • Jul, 2023 - Present

#sensing#2d#biomarker#drug-delivery#dft-studies#theoretical#ongoing

Doping Induced Charge Transfer in Functional Graphene

Doping Induced Charge Transfer in Functional Graphene

May 10, 2025 • Jul, 2023 - Present

#doping#2d#charge-transfer#graphene#dft-studies#theoretical#experimental#ongoing

DFT study for selective amino acid (L-Cysteine) sensing by a Cu(II)

DFT study for selective amino acid (L-Cysteine) sensing by a Cu(II)

May 24, 2024 • Nov, 2022 - Present

#cysteine#binding-modes#amino-acid#dft-studies#theoretical#experimental#submitted

Electronic structure and Reactivity of an Allyl-Like Trialuminium Compound

Electronic structure and Reactivity of an Allyl-Like Trialuminium Compound

May 10, 2024 • Jun, 2022 - Present

#trialuminium#organometallic#reactivity#ts#dft-studies#theoretical#experimental#ongoing

Finding a More Stable Semiconductor Borophene Using the Theoretical Approach

Finding a More Stable Semiconductor Borophene Using the Theoretical Approach

Aug 5, 2021 • Dec, 2020 - Jul, 2021

#borophene#semiconductor#msc-project#materials-studio#dft-studies#theoretical#completed