-
1
-
-
0003464216
-
-
Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD
-
Bartmess, J. E. In NIST Chemistry WebBook, NIST Standard Reference Database 69; Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, 1998.
-
(1998)
NIST Chemistry WebBook, NIST Standard Reference Database 69
-
-
Bartmess, J.E.1
-
9
-
-
37049085400
-
-
Dewar, M. J. S.; Krull, K. L. J. Chem. Soc., Chem. Commun. 1990, 4, 333-334.
-
(1990)
J. Chem. Soc., Chem. Commun.
, vol.4
, pp. 333-334
-
-
Dewar, M.J.S.1
Krull, K.L.2
-
11
-
-
11944259183
-
-
Taft, R. W.; Koppel, I. A.; Topsom, R. D.; Anvia, F. J. Am. Chem. Soc. 1990, 112, 2047-2052.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 2047-2052
-
-
Taft, R.W.1
Koppel, I.A.2
Topsom, R.D.3
Anvia, F.4
-
16
-
-
0000520465
-
-
Siggel, M. R. F.; Streitwieser, A. R., Jr.; Thomas, T. D. J. Am. Chem. Soc. 1988, 110, 8022-8028.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 8022-8028
-
-
Siggel, M.R.F.1
Streitwieser A.R., Jr.2
Thomas, T.D.3
-
17
-
-
33845279448
-
-
Thomas, T. D.; Carroll, T. X.; Siggel, M. R. F. J. Org. Chem. 1988, 53, 1812-1815.
-
(1988)
J. Org. Chem.
, vol.53
, pp. 1812-1815
-
-
Thomas, T.D.1
Carroll, T.X.2
Siggel, M.R.F.3
-
18
-
-
0001220452
-
-
Thomas, T. D.; Siggel, M. R. F.; Streitwieser, A. THEOCHEM 1988, 165, 309-318.
-
(1988)
THEOCHEM
, vol.165
, pp. 309-318
-
-
Thomas, T.D.1
Siggel, M.R.F.2
Streitwieser, A.3
-
22
-
-
84962359815
-
-
Wiberg, K. B.; Ochterski, J.; Streitwieser, A. J. Am. Chem. Soc. 1996, 118, 8291-8299.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 8291-8299
-
-
Wiberg, K.B.1
Ochterski, J.2
Streitwieser, A.3
-
26
-
-
37049076463
-
-
Thomas (Thomas, T. D. J. Chem. Soc., Perkin Trans, 2 1994, 9, 1945-1948) also points out that the results obtained by Dewar and Krull do not provide insight into the question of whether the enhanced acidity of formic acid over methanol is due to stabilization of the anion or an increased potential energy at the proton in the acid.
-
(1994)
J. Chem. Soc., Perkin Trans, 2
, vol.9
, pp. 1945-1948
-
-
Thomas, T.D.1
-
28
-
-
0345491105
-
-
(b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
29
-
-
0038596731
-
-
(c) Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem. Phys. Lett. 1989, 157, 200-206.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200-206
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
30
-
-
33751157732
-
-
(d) Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
31
-
-
0041401966
-
-
Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
32
-
-
0001070565
-
-
Tadayoni, B. M.; Huff, J.; Rebek, J. J. Am. Chem. Soc. 1991, 113, 2247.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 2247
-
-
Tadayoni, B.M.1
Huff, J.2
Rebek, J.3
-
33
-
-
22244435668
-
-
Merrill and Kass (Merrill, G. N.; Kass, S. R. J. Phys. Chem. 1996, 100, 17465-17471) were the first to show agreement beween the DFT calculated (BLYP) and the experimental values of acidity for both methanol and formic acid. Our B3LYP values are in excellent agreement with their BLYP values.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 17465-17471
-
-
Merrill, G.N.1
Kass, S.R.2
-
36
-
-
37049087465
-
-
Bianchi, G.; Howarth, O. W.; Samuel, C. J.; Vlahov, G. J. Chem. Soc., Perkin Trans. 2 1995, 7, 1427-1432.
-
(1995)
J. Chem. Soc., Perkin Trans. 2
, vol.7
, pp. 1427-1432
-
-
Bianchi, G.1
Howarth, O.W.2
Samuel, C.J.3
Vlahov, G.4
|