-
3
-
-
84985594990
-
-
Terlouw, J. K.; Lebrilla, C. B.; Schwarz, J. Angew. Chem., Int. Ed. Engl. 1987, 26, 354-355.
-
(1987)
Angew. Chem., Int. Ed. Engl.
, vol.26
, pp. 354-355
-
-
Terlouw, J.K.1
Lebrilla, C.B.2
Schwarz, J.3
-
6
-
-
0034599006
-
-
(a) Loerting, T.; Tautermann, C.; Kroemer, R. T.; Kohl, I.; Hallbrucker, A.; Mayer, E.; Liedl, K. R. Angew. Chem., Int. Ed. 2000, 39, 892-894.
-
(2000)
Angew. Chem., Int. Ed.
, vol.39
, pp. 892-894
-
-
Loerting, T.1
Tautermann, C.2
Kroemer, R.T.3
Kohl, I.4
Hallbrucker, A.5
Mayer, E.6
Liedl, K.R.7
-
7
-
-
0032570660
-
-
(b) Hage, W.; Liedl, K. R.; Hallbrucker, A.; Mayer, E. Science 1998, 279, 1332-1335.
-
(1998)
Science
, vol.279
, pp. 1332-1335
-
-
Hage, W.1
Liedl, K.R.2
Hallbrucker, A.3
Mayer, E.4
-
8
-
-
1842326839
-
-
(c) Liedl, K. R.; Sekusak, S.; Mayer, E. J. Am. Chem. Soc. 1997, 119, 3782-3784.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 3782-3784
-
-
Liedl, K.R.1
Sekusak, S.2
Mayer, E.3
-
9
-
-
0031549625
-
-
Nguyen, M. T.; Raspoet, G.; Vanquickenborne, L. G.; Van Duijnen, P. T. J. Phys. Chem. A 1997, 101, 7379-7388.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 7379-7388
-
-
Nguyen, M.T.1
Raspoet, G.2
Vanquickenborne, L.G.3
Van Duijnen, P.T.4
-
13
-
-
25144477272
-
-
Jonsson, N.; Karlstrom, G.; Wennerstrom, H.; Forsen, S.; Roos, B.; Almlof, J. J. Am. Chem. Soc. 1977, 99, 4628-4632.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 4628-4632
-
-
Jonsson, N.1
Karlstrom, G.2
Wennerstrom, H.3
Forsen, S.4
Roos, B.5
Almlof, J.6
-
14
-
-
0001144137
-
-
Radom, L.; Lathan, W. A.; Hehre, W. J.; Pople, J. A. Aust. J. Chem. 1972, 25, 1601-1612.
-
(1972)
Aust. J. Chem.
, vol.25
, pp. 1601-1612
-
-
Radom, L.1
Lathan, W.A.2
Hehre, W.J.3
Pople, J.A.4
-
16
-
-
0034504003
-
-
(b) Lewis, M.; Wu, Z.; Glaser, R. J. Phys. Chem. A 2000, 104, 11355-11361.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 11355-11361
-
-
Lewis, M.1
Wu, Z.2
Glaser, R.3
-
17
-
-
0037194991
-
-
(c) Glaser, R.; Lewis, M.; Wu, Z. J. Phys. Chem. A 2002, 106, 7950-7957.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 7950-7957
-
-
Glaser, R.1
Lewis, M.2
Wu, Z.3
-
18
-
-
0034642259
-
-
(d) Glaer, R.; Wu, Z.; Lewis, M. J. Mol. Struct. 2000, 556, 131-141.
-
(2000)
J. Mol. Struct.
, vol.556
, pp. 131-141
-
-
Glaer, R.1
Wu, Z.2
Lewis, M.3
-
22
-
-
0004133516
-
-
Gaussian Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian94, revision C.3; Gaussian Inc.: Pittsburgh, PA. 1995.
-
(1995)
Gaussian94, Revision C.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
23
-
-
85005470381
-
-
Pople, J. A.; Scott, A. P.; Wong, M. W.; Radom, L. Isr. J. Chem. 1993, 33, 345-350.
-
(1993)
Isr. J. Chem.
, vol.33
, pp. 345-350
-
-
Pople, J.A.1
Scott, A.P.2
Wong, M.W.3
Radom, L.4
-
26
-
-
0141869870
-
-
note
-
**-optimized structures show that the population of the O atom in carbon dioxide is -0.61, and it is -0.74 in carbonic acid.
-
-
-
-
27
-
-
0141758280
-
-
note
-
**-optimized structures show that the population of an OH group in water is -0.45, and it is -0.24 in carbonic acid.
-
-
-
|