Repositorios 33 Catálogos de Bibliotecas 28 Revistas 1

article 42 Ab initio calculations 40 Calculations 30 ab initio calculation 27 unclassified drug 26 Ab initio 24 nonhuman 24 priority journal 22 controlled study 16 Density functional theory 15 Física 15 Electronic structure 13 Oxygen 12 chemistry 12 nuclear magnetic resonance spectroscopy 12 DFT 11 Ab-initio calculations 10 Atoms 10 Escherichia coli 10 Química 10 hydrogen bond 10 ab initio calculations 9 Adsorption 8 Ciencias Exactas 8 Excited states 8 Experimental data 8 Models, Molecular 8 NMR 8 Phase transitions 8 Protein Structure, Tertiary 8