-
1
-
-
0033515394
-
-
Dapprich, S.; Komaromi, I.; Byun, K. S.; Morokuma, K.; Frisch, M. J. J. Mol. Str. (THEOCHEM), 1999, 461-462, 1.
-
(1999)
J. Mol. Str. (THEOCHEM)
, vol.461-462
, pp. 1
-
-
Dapprich, S.1
Komaromi, I.2
Byun, K.S.3
Morokuma, K.4
Frisch, M.J.5
-
2
-
-
0001053827
-
-
Martin, R. L.; Hay, P. J.; Pratt, L. R. J. Phys. Chem. A 1998, 102, 3565.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 3565
-
-
Martin, R.L.1
Hay, P.J.2
Pratt, L.R.3
-
3
-
-
0345534639
-
-
Rustad, J. R.; Wasserman, E.; Felmy, A. R. Surf. Sci. 1999, 424, 28.
-
(1999)
Surf. Sci.
, vol.424
, pp. 28
-
-
Rustad, J.R.1
Wasserman, E.2
Felmy, A.R.3
-
4
-
-
0001740321
-
-
Bakker, A.; Hermansson, K.; Lindgren, J.; Probst, M. M.; Bopp, P. A. Int. J. Quantum Chem. 1999, 75, 659.
-
(1999)
Int. J. Quantum Chem.
, vol.75
, pp. 659
-
-
Bakker, A.1
Hermansson, K.2
Lindgren, J.3
Probst, M.M.4
Bopp, P.A.5
-
5
-
-
0034324527
-
-
Lauenstein, A.; Hermansson, K.; Lindgren, J.; Probst, M.; Bopp, P. A. Int. J. Quantum Chem. 2000, 80, 892.
-
(2000)
Int. J. Quantum Chem.
, vol.80
, pp. 892
-
-
Lauenstein, A.1
Hermansson, K.2
Lindgren, J.3
Probst, M.4
Bopp, P.A.5
-
8
-
-
0031852005
-
-
Ainsworth, C. C.; Friedrich, D. M.; Gassman, P. L.; Wang, Z.; Joly, A. G. Geochim. Cosmochim. Acta, 1998, 62, 595.
-
(1998)
Geochim. Cosmochim. Acta
, vol.62
, pp. 595
-
-
Ainsworth, C.C.1
Friedrich, D.M.2
Gassman, P.L.3
Wang, Z.4
Joly, A.G.5
-
9
-
-
2442617487
-
-
Binkley, J. S.; Pople, J. A.; Hehre, W. J. J. Am. Chem. Soc. 1980, 102, 939.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 939
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
-
10
-
-
33845555195
-
-
Gordon, M. S.; Binkley, S.; Pople, J. A.; Pietro, W. J.; Hehre, W. J. J. Am. Chem. Soc. 1982, 104, 2797.
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 2797
-
-
Gordon, M.S.1
Binkley, S.2
Pople, J.A.3
Pietro, W.J.4
Hehre, W.J.5
-
11
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma. K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
12
-
-
2442481958
-
-
Peng, C.; Ayala, P. Y.; Schlegel, H. B. J. Comput. Chem. 1996, 17, 49.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 49
-
-
Peng, C.1
Ayala, P.Y.2
Schlegel, H.B.3
-
13
-
-
0003422992
-
-
Gaussian Inc.: Pittsburgh, PA
-
Foresman, J. B.; Frisch, Æ. Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian, 2nd ed.; Gaussian Inc.: Pittsburgh, PA, 1996, 269 pp.
-
(1996)
Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian, 2nd Ed.
-
-
Foresman, J.B.1
Frisch, Æ.2
-
14
-
-
84983920787
-
-
Pople, J. A.; Schlegel, H. B.; Krishnan, R.; Defrees, D. J.; Binkley, J. S.; Frisch, M. J.; Whiteside, R. A.; Hout, R. F.; Hehre, W. J. Int. J. Quantum Chem.: Quantum Chem. Symp. 1981, 15, 269.
-
(1981)
Int. J. Quantum Chem.: Quantum Chem. Symp.
, vol.15
, pp. 269
-
-
Pople, J.A.1
Schlegel, H.B.2
Krishnan, R.3
Defrees, D.J.4
Binkley, J.S.5
Frisch, M.J.6
Whiteside, R.A.7
Hout, R.F.8
Hehre, W.J.9
-
16
-
-
0345491105
-
-
Lee, C. T.; Yang, W. T.; Parr, R. G. Phys Rev B, 1988, 37, 785.
-
(1988)
Phys Rev B
, vol.37
, pp. 785
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
17
-
-
4243788830
-
-
Li, J.; Fisher, C. L.; Chen, J. L.; Bashford, D.; Noodleman, L. Inorg. Chem. 1996, 35, 4695.
-
(1996)
Inorg. Chem.
, vol.35
, pp. 4695
-
-
Li, J.1
Fisher, C.L.2
Chen, J.L.3
Bashford, D.4
Noodleman, L.5
-
18
-
-
0031209054
-
-
Cancès, E.; Mennucci, B.; Tomasi, J. J. Chem. Phys. 1997, 107, 3032.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 3032
-
-
Cancès, E.1
Mennucci, B.2
Tomasi, J.3
-
19
-
-
0001855270
-
-
Smith, D. A., Ed.; ACS, Washington, DC
-
Keith, T. A.; Frisch, M. J. In Modeling the Hydrogen Bond, ACS Symposium Series 56; Smith, D. A., Ed.; ACS, Washington, DC, 1994, 22.
-
(1994)
Modeling the Hydrogen Bond, ACS Symposium Series 56
, pp. 22
-
-
Keith, T.A.1
Frisch, M.J.2
-
20
-
-
0001729603
-
-
Kubicki, J. D.; Apitz, S. E.; Blake, G. A. Geochim. Cosmochim. Acta. 1996, 60, 4897.
-
(1996)
Geochim. Cosmochim. Acta.
, vol.60
, pp. 4897
-
-
Kubicki, J.D.1
Apitz, S.E.2
Blake, G.A.3
-
21
-
-
0000861693
-
-
Kubicki, J. D.; Sykes, D.; Apitz, S. E. J. Phys. Chem. A, 1999, 103, 903.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 903
-
-
Kubicki, J.D.1
Sykes, D.2
Apitz, S.E.3
-
23
-
-
0001114793
-
-
Lubin, M. I.; Bylaska, E. J.; Weare, J. H. Chem. Phys. Lett. 2000, 322, 447.
-
(2000)
Chem. Phys. Lett.
, vol.322
, pp. 447
-
-
Lubin, M.I.1
Bylaska, E.J.2
Weare, J.H.3
-
24
-
-
0032190581
-
-
Phillips, B. L.; Tossell, J. A.; Casey, W. H. Environ. Sci. Technol. 1998, 32, 2865.
-
(1998)
Environ. Sci. Technol.
, vol.32
, pp. 2865
-
-
Phillips, B.L.1
Tossell, J.A.2
Casey, W.H.3
-
25
-
-
0345157549
-
-
Moolenaar, R. J.; Evans, J. C.; McKeever, L. D. J. Phys. Chem. 1970, 74, 3629.
-
(1970)
J. Phys. Chem.
, vol.74
, pp. 3629
-
-
Moolenaar, R.J.1
Evans, J.C.2
McKeever, L.D.3
-
26
-
-
0034669019
-
-
Rudolph, W. W.; Mason, R.; Pye, C. C. Phys. Chem. Chem. Phys. 2000, 2, 5030.
-
(2000)
Phys. Chem. Chem. Phys.
, vol.2
, pp. 5030
-
-
Rudolph, W.W.1
Mason, R.2
Pye, C.C.3
-
28
-
-
0032448402
-
-
Ridley, M. K.; Palmer, D. A.; Wesolowski, D. J.; Kettler, R. M. Geochim. Cosmochim. Acta, 1998, 62, 2279.
-
(1998)
Geochim. Cosmochim. Acta
, vol.62
, pp. 2279
-
-
Ridley, M.K.1
Palmer, D.A.2
Wesolowski, D.J.3
Kettler, R.M.4
-
29
-
-
0000913734
-
-
Sykes, D.; Kubicki, J. D.; Farrar, T. C. J. Phys. Chem. 1997, 101, 2715.
-
(1997)
J. Phys. Chem.
, vol.101
, pp. 2715
-
-
Sykes, D.1
Kubicki, J.D.2
Farrar, T.C.3
-
34
-
-
5244222926
-
-
Pelmenschikov, A. G.; Morosi, G.; Gamba, A. J. Phys. Chem. 1992, 96, 7422.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 7422
-
-
Pelmenschikov, A.G.1
Morosi, G.2
Gamba, A.3
-
36
-
-
0000596873
-
-
Sjöberg, S.; Nordin, A.; Ingri, N. Mar. Chem. 1981, 10, 521.
-
(1981)
Mar. Chem.
, vol.10
, pp. 521
-
-
Sjöberg, S.1
Nordin, A.2
Ingri, N.3
-
37
-
-
0032005717
-
-
1998
-
Rustad, J. R.; Wasserman, E.; Felmy, A. R.; Wilke, C. 1998 J. Colloid Interface Sci. 1998, 198, 119.
-
(1998)
J. Colloid Interface Sci.
, vol.198
, pp. 119
-
-
Rustad, J.R.1
Wasserman, E.2
Felmy, A.R.3
Wilke, C.4
|