Electron-density topology Carrier concentration 4 Chemical bonds 4 Integration 4 Molecular dynamics 4 Molecular systems 4 Molecules 4 Population analysis 4 Population statistics 4 Topology 4 Unpaired densities 4 Ab initio calculations 2 Calculations 2 Carboxamide 2 Carboxamides 2 Cluster calculations 2 Co-operative effects 2 Crystal structure 2 Cyclohexane 2 Hexane 2 Hydrogen bond interaction 2 Hydrogen bonds 2 IR and Raman spectroscopy 2 IR spectroscopy 2 Infrared spectroscopy 2 Intermolecular interactions 2 Molecular arrangements 2 Raman spectroscopy 2 Screws 2 Single crystal x-ray diffraction 2