Chemical bonds Molecular dynamics 24 article 24 Molecular structure 22 Conformations 18 Crystal structure 18 chemistry 18 Electrons 14 Molecules 14 Nuclear magnetic resonance spectroscopy 14 Reaction kinetics 14 chemical structure 14 priority journal 14 unclassified drug 14 Algorithms 12 Carrier concentration 12 Mathematical models 12 Models, Molecular 12 Quantum chemistry 12 Quantum theory 12 Atoms 10 Matrix algebra 10 Nuclear magnetic resonance 10 Topology 10 Adsorption 8 Animals 8 Chemical bondings 8 Complexation 8 Decomposition 8 Density functional theory 8