-
2
-
-
0002399804
-
-
A. Pavese, M. Catti, G.D. Price, R.A. Jackson, Phys. Chem. Minerals 19 (1992) 80.
-
(1992)
Phys. Chem. Minerals
, vol.19
, pp. 80
-
-
Pavese, A.1
Catti, M.2
Price, G.D.3
Jackson, R.A.4
-
3
-
-
0026493696
-
-
M.T. Dove, B. Winkler, M. Leslie, M.J. Harris, E.K.H. Salje, Am. Mineral. 77 (1992) 244.
-
(1992)
Am. Mineral.
, vol.77
, pp. 244
-
-
Dove, M.T.1
Winkler, B.2
Leslie, M.3
Harris, M.J.4
Salje, E.K.H.5
-
4
-
-
0027799914
-
-
S.C. Parker, J.O. Titiloye, G.W. Watson, Philos. Trans. R. Soc. London, Ser. A 344 (1993) 37.
-
(1993)
Philos. Trans. R. Soc. London, Ser. A
, vol.344
, pp. 37
-
-
Parker, S.C.1
Titiloye, J.O.2
Watson, G.W.3
-
6
-
-
0029776585
-
-
A. Pavese, M. Catti, S.C. Parker, A. Wall, Phys. Chem. Minerals 23 (1996) 89.
-
(1996)
Phys. Chem. Minerals
, vol.23
, pp. 89
-
-
Pavese, A.1
Catti, M.2
Parker, S.C.3
Wall, A.4
-
10
-
-
0027524341
-
-
M. Catti, A. Pavese, E. Apra, C. Roetti, Phys. Chem. Minerals 20 (1993) 104.
-
(1993)
Phys. Chem. Minerals
, vol.20
, pp. 104
-
-
Catti, M.1
Pavese, A.2
Apra, E.3
Roetti, C.4
-
11
-
-
0003400762
-
-
Springer, New York
-
C. Pisani, R. Dovesi, C. Roetti, Lecture Notes in Chemistry, vol. 48, Springer, New York, 1988.
-
(1988)
Lecture Notes in Chemistry
, vol.48
-
-
Pisani, C.1
Dovesi, R.2
Roetti, C.3
-
16
-
-
0345745655
-
-
R.J. Reeder (Ed.), Mineralogical Society of America, Washington, DC, Chapter 1
-
R.J. Reeder, in: R.J. Reeder (Ed.), Carbonates: Mineralogy and Chemistry, Reviews in Mineralogy, vol. 11, Mineralogical Society of America, Washington, DC, 1983, Chapter 1.
-
(1983)
Carbonates: Mineralogy and Chemistry, Reviews in Mineralogy
, vol.11
-
-
Reeder, R.J.1
-
21
-
-
84893169025
-
-
M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis, J.A. Montgomery Jr., J. Comput. Chem. 14 (1993) 1347.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.10
Windus, T.L.11
Dupuis, M.12
Montgomery J.A., Jr.13
-
22
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh
-
M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. Defrees, J. Baker, J.J.P. Stewart, J.A. Pople, GAUSSIAN 92 (Revision E.I), Gaussian, Inc., Pittsburgh, 1992.
-
(1992)
GAUSSIAN 92 (Revision E.I)
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
24
-
-
36849104916
-
-
(b) W.J. Hehre, R.D. Ditchfield, R.F. Stewart, J.A. Pople, J. Chem. Phys. 52 (1970) 2769.
-
(1970)
J. Chem. Phys.
, vol.52
, pp. 2769
-
-
Hehre, W.J.1
Ditchfield, R.D.2
Stewart, R.F.3
Pople, J.A.4
-
25
-
-
33947093784
-
-
(c) M.S. Gordon, M.D. Bjorke, F.J. Marsh, M.S. Korth, J. Am. Chem. Soc. 100 (1978) 2670.
-
(1978)
J. Am. Chem. Soc.
, vol.100
, pp. 2670
-
-
Gordon, M.S.1
Bjorke, M.D.2
Marsh, F.J.3
Korth, M.S.4
-
26
-
-
0000464928
-
-
(d) W.J. Pietro, B.A. Levi, W.J. Hehre, R.F. Stewart, Inorg. Chem. 19 (1980) 2225.
-
(1980)
Inorg. Chem.
, vol.19
, pp. 2225
-
-
Pietro, W.J.1
Levi, B.A.2
Hehre, W.J.3
Stewart, R.F.4
-
28
-
-
33845555195
-
-
(b) M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro, W.J. Hehre, J. Am. Chem. Soc. 104 (1982) 2797-2803.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 2797-2803
-
-
Gordon, M.S.1
Binkley, J.S.2
Pople, J.A.3
Pietro, W.J.4
Hehre, W.J.5
-
30
-
-
0011965942
-
-
(d) W.J. Pietro, M.M. Francl, W.J. Hehre, D.J. DeFrees, J.A. Pople, J.S. Binkley, J. Am. Chem. Soc. 104 (1982) 5039.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 5039
-
-
Pietro, W.J.1
Francl, M.M.2
Hehre, W.J.3
DeFrees, D.J.4
Pople, J.A.5
Binkley, J.S.6
-
34
-
-
0003718311
-
-
Elsevier, Amsterdam
-
S. Huzinaga, J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai, H. Tatewaki (Eds.), Gaussian Basis Sets for Molecular Calculations, Elsevier, Amsterdam, 1984.
-
(1984)
Gaussian Basis Sets for Molecular Calculations
-
-
Huzinaga, S.1
Andzelm, J.2
Klobukowski, M.3
Radzio-Andzelm, E.4
Sakai, Y.5
Tatewaki, H.6
-
41
-
-
0002412899
-
-
M.F. Hochella, Jr., A.F. White (Eds.), Mineralogical Society of America, Washington, DC, Chapter 2
-
A.C. Lasaga, in: M.F. Hochella, Jr., A.F. White (Eds.), Mineral-Water Interface Geochemistry, Reviews in Mineralogy, vol. 23, Mineralogical Society of America, Washington, DC, 1990, Chapter 2.
-
(1990)
Mineral-Water Interface Geochemistry, Reviews in Mineralogy
, vol.23
-
-
Lasaga, A.C.1
-
44
-
-
0000213022
-
-
M. Catti, R. Dovesi, A. Pavese, V.R. Saunders, J. Phys.: Condens. Matter 3 (1991) 4151.
-
(1991)
J. Phys.: Condens. Matter
, vol.3
, pp. 4151
-
-
Catti, M.1
Dovesi, R.2
Pavese, A.3
Saunders, V.R.4
-
48
-
-
0042460800
-
-
M. Catti, A. Pavese, R. Dovesi, V.R. Saunders, Phys. Rev. B 47 (1993) 9189.
-
(1993)
Phys. Rev. B
, vol.47
, pp. 9189
-
-
Catti, M.1
Pavese, A.2
Dovesi, R.3
Saunders, V.R.4
-
51
-
-
0347637432
-
-
F.C. Hawthorne (Ed.), Mineralogical Society of America, Washington, DC, Chapter 4
-
P.F. McMillan, A.M. Hofmeister, in: F.C. Hawthorne (Ed.), Spectroscopic Methods in Mineralogy and Geology, Reviews in Mineralalogy, vol. 18, Mineralogical Society of America, Washington, DC, 1988, Chapter 4.
-
(1988)
Spectroscopic Methods in Mineralogy and Geology, Reviews in Mineralalogy
, vol.18
-
-
McMillan, P.F.1
Hofmeister, A.M.2
-
52
-
-
0027884082
-
-
P. Van Cappellen, L. Charlet, W. Stumm, P. Wersin, Geochim. Cosmochim. Acta 57 (1993) 3505.
-
(1993)
Geochim. Cosmochim. Acta
, vol.57
, pp. 3505
-
-
Van Cappellen, P.1
Charlet, L.2
Stumm, W.3
Wersin, P.4
-
53
-
-
0007136498
-
-
as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, PO Box 999, Richland, Washington 99352, USA, and funded by the US Department of Energy
-
The Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, PO Box 999, Richland, Washington 99352, USA, and funded by the US Department of Energy, http://www.emsl.pnl.gov:2080/forms/basisform. html.
-
The Extensible Computational Chemistry Environment Basis Set Database, Version 1.0
-
-
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