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S.","year":"1995"},{"key":"ref93\/cit93","unstructured":"In the absence of experimental data for reaction1, it seemed wise to establish the reliability of our calculations as best we could. The enthalpy for the hydrolysis reaction of methylboronic acid (H\n                      3\n                      C\u2212B(OH)\n                      2\n                      ), H\n                      3\n                      CB(OH)\n                      2\n                      + H\n                      2\n                      O CH\n                      4\n                      + B(OH)\n                      3\n                      , has been reported to be \u221226.8 kcal\/mol on the basis of published heat-of-formation data (298 K) for the molecules in this reaction.(97)The calculated values of \u0394\n                      H\n                      for this hydrolysis in vacuo were\u2009\u221227.9,\u2009\u221227.8,\u2009\u221221.5,\u2009and\u2009\u221230.5 kcal\/mol at the PBE1PBE\/6-311++G(d,p), MP2\/cc-pVDZ, MP2\/aug-cc-pVDZ, and MP2\/cc-pVTZ, respectively. It is of interest to note that the calculated values of \u0394\n                      H\n                      for the analogous hydrolysis reaction of boroglycine, H\n                      2\n                      N\u2212CH\n                      2\n                      \u2212B(OH)\n                      2\n                      + H\n                      2\n                      O H\n                      2\n                      N\u2212CH\n                      3\n                      + B(OH)\n                      3\n                      , were \u221229.2,\u2009\u221231.9,\u2009\u221226.1,\u2009\u221230.8,\u2009and\u2009\u221230.3 kcal\/mol. Therefore, the presence of a basic primary amine group in the R-position appears to play a relatively minor role in the thermodynamics of this hydrolysis."},{"key":"ref94\/cit94","doi-asserted-by":"crossref","first-page":"614","DOI":"10.1021\/om00082a019","volume":"3","author":"Matteson D. 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