Journal Article 4 fragment methods Research Support, Non-U.S. Gov't 2 Research Support, U.S. Gov't, Non-P.H.S. 2 chemical calculations 2 electrostatic embedding 2 molecular crystals 2 mehr ... 4781T907ZS 1 7GBN705NH1 1 8XOE1JSO29 1 Acetamides 1 Acetic Acid 1 Formamides 1 GIPAW 1 Imidazoles 1 Proteins 1 Q40Q9N063P 1 Research Support, N.I.H., Extramural 1 acetamide 1 biomolecules, density functional theory 1 electronic structure theory 1 formamide 1 imidazole 1 nuclear magnetic resonance chemical shifts 1 solid-state NMR 1 solid‐state NMR 1 space-group symmetry 1 vanadium 1 weniger ...