Repositorios 1

Molecular conformation 9,10-Dichloroanthracene 2 Chain-like molecules 2 Chlorine 2 Chlorine compounds 2 Cl⋯Cl interactions 2 Conformations 2 DFT-D 2 Dispersion correction 2 Electronic structure 2 Electronic structure calculations 2 Free energy 2 Halogen bonding 2 Halogen-bonding 2 Hydrogen bonds 2 Intermolecular interactions 2 Liquid-vapor interface 2 Long chain alkane 2 Molecular dynamics 2 Molecular dynamics simulations 2 Molecular orientation 2 Molecules 2 Paraffins 2 Partially immersed 2 Phase interfaces 2 Polymorphism 2 Radius of gyration 2 Stacking interaction 2 Umbrella sampling 2 Hirshfeld surface analysis 1