Repositorios 3

Atoms in molecules Natural bond orbital analysis 8 Antioxidants 7 Density functional theory 7 Aqueous solvent effect 5 Molecular polarizability 4 PCM model 4 Ciencias Exactas 3 (4α→6″, 2α → O → 1″)-phenylflavans 2 (4α→6″, 2α→O→1″)- phenylflavans 2 Bond dissociation enthalpies 2 Catechin 2 Donor-acceptor interactions 2 Electron population 2 Ionization potentials 2 Monte Carlo method 2 Proanthocyanidins 2 Reduced density matrices 2 absorption 2 article 2 azadirachtin 2 carbon nuclear magnetic resonance 2 chemical structure 2 controlled study 2 density functional theory 2 dispersion 2 methanol 2 priority journal 2 proton nuclear magnetic resonance 2 surface property 2