Calculated hydrogen bond energies (kcal/mol) in some gas-phase dimers

Range 0.2 - 39.0 Table - link kcal/mol
Organism Generic
Reference Steiner T. The hydrogen bond in the solid state. Angew Chem Int Ed Engl. 2002 Jan 4 41(1):49-76. p.53 table 1PubMed ID12491444
Primary Source See pointers to refs on right of table and refs beneath table (on 2nd page of table link)
Comments "The values in Table 1 are computed for dimers in optimal geometry undisturbed by their surroundings. In the solid state, hydrogen bonds are practically never in optimal geometry, and are always influenced by their environment."
Entered by Uri M
ID 111240