نمایش نتایج جستجو برای
نام مجله: Computational and Theoretical Chemistry
موارد یافت شده: 9
1 - Directional electric-field control of the intramolecular hydrogen bond in Malonaldehyde (چکیده)2 - Insights into intramolecular hydrogen bonding and π-electron delocalization; a case study on some β-diketone compounds, with special focus on 2-furoylacetone (چکیده)
3 - Dopamine interaction with DNA/RNA aptamers: Molecular dynamics simulation (چکیده)
4 - β-amino alcohols as promising inhibitory candidates against the SARS-CoV-2, A theoretical design based on MD simulation and DFT insights (چکیده)
5 - Interaction of nucleobases with silicene nanoribbon: A density functional approach (چکیده)
6 - A theoretical study of intramolecular H‒ bonding and metal‒ ligand interactions in some complexes with bicyclic guanidine ligands (چکیده)
7 - A comparative theoretical study of methane adsorption on the nitrogen, boron and lithium doped graphene sheets including density functional dispersion correction (چکیده)
8 - Site specific interaction of aromatic amino acids with ZnO nanotubes: A density functional approach (چکیده)
9 - Computational study of the intramolecular proton transfer reactions of dipicolinic acid (pyridine-2,6-dicarboxylic acid) and its dimers (چکیده)
