TY - RPRT TI - Ab initio conformational studies on diols and binary diol-water systems using DFT methods. Intramolecular hydrogen bonding and 1:1 complex formation with water. AU - Roger A Klein PY - 2002 DO - 10.1002/jcc.10053 UR - https://pubmed.ncbi.nlm.nih.gov/11939593/ ID - 11939593 ER -