Table 1-3 list total energies(corrected ZPE), spin contamination values, bond dissociation energies
, the energy difference between doublet and quadruplet,crucial bond lengths and bond angles of BX, where X=CO, CS, N2, CNCH3, H2O, H2S, NH3, PH3, F-, CN-, C5H5N, NO2-.
A B3LYP Study Searching for B-B Triple Bond in XBBX System (X= CO, CS, N2, CNCH3, H2O, H2S, NH3, PH3, C5H5N, F-, CN-, NO2-)
Seven tables have been expanded and updated, including those on critical temperature and pressure of fluids, enthalpy of vaporization of inorganic and organic compounds, thermodynamic properties of air, bond dissociation energies
, and the properties of fundamental particles.
Bond dissociation energies
can be helpful in assigning relative reactivities for this reaction for various polymers.
Several of the tables have been expanded and updated, including: bond dissociation energies
, NIST atomic transition probability tables, properties of semiconductors, atomic masses and abundances, threshold limits for airborne contaminants, and the standard transfomed Gibbs energy of formation for important biochemical species.