Repositorios 5

Density functional theory 10 Natural bond orbital analysis 9 Antioxidants 8 Atoms in molecules 8 Natural bond orbital 8 Nuclear magnetic resonance 7 Molecular structure 6 article 6 Aqueous solvent effect 5 Ciencias Exactas 4 Fermi contact term 4 Hyperconjugative interactions 4 Molecular polarizability 4 Natural bond orbitals 4 Nuclear magnetic resonance spectroscopy 4 PCM model 4 Química 4 Spin dynamics 4 Spin-spin coupling constants 4 Sulfur compounds 4 chemical structure 4 (4α→6″, 2α → O → 1″)-phenylflavans 2 (4α→6″, 2α→O→1″)- phenylflavans 2 2-Methyl-2,5-dimethoxy-amphe-tamine 2 3 dioxides 2 Ab initio 2 Algorithms 2 Amino acids 2 Anti bondings 2 Antibonding orbitals 2