-
1
-
-
2542452601
-
-
Elsevier: Amsterdam
-
Guillaumont, R.; Fanghänel, T.; Fuger, J.; Grenthe, I.; Neck, V.; Palmer, D. A.; Rand, M. H. Update on the Chemical Thermodynamics of Uranium, Neptunium, Plutonium, Americium and Technetium; Elsevier: Amsterdam, 2003.
-
(2003)
Update on the Chemical Thermodynamics of Uranium, Neptunium, Plutonium, Americium and Technetium
-
-
Guillaumont, R.1
Fanghänel, T.2
Fuger, J.3
Grenthe, I.4
Neck, V.5
Palmer, D.A.6
Rand, M.H.7
-
2
-
-
14844309709
-
-
Gonzalez-Gil, G.; Amonette, J. E.; Romine, M. F.; Gorby, Y. A.; Geesey, G. G. Geochim. Cosmochim. Acta 2005, 69, 1145.
-
(2005)
Geochim. Cosmochim. Acta
, vol.69
, pp. 1145
-
-
Gonzalez-Gil, G.1
Amonette, J.E.2
Romine, M.F.3
Gorby, Y.A.4
Geesey, G.G.5
-
3
-
-
2642547420
-
-
Sani, R. K.; Peyton, B. M.; Amonette, J. E.; Geesey, G. G. Geochim. Cosmochim. Acta 2004, 68, 2639.
-
(2004)
Geochim. Cosmochim. Acta
, vol.68
, pp. 2639
-
-
Sani, R.K.1
Peyton, B.M.2
Amonette, J.E.3
Geesey, G.G.4
-
4
-
-
20044394391
-
-
Liu, C; Zachara, J.; Zhong, L.; Kukkadupa, R.; Szecsody, J.; Kennedy, D. Environ. Sci. Technol. 2005, 39, 4125.
-
(2005)
Environ. Sci. Technol.
, vol.39
, pp. 4125
-
-
Liu, C.1
Zachara, J.2
Zhong, L.3
Kukkadupa, R.4
Szecsody, J.5
Kennedy, D.6
-
5
-
-
18344375711
-
-
Qafoku, N. P.; Zachara, J. M.; Liu, C. X.; Gassman, P. L.; Qafoku, O. S.; Smith, S. C. Environ. Sci. Technol. 2005, 39, 3157.
-
(2005)
Environ. Sci. Technol.
, vol.39
, pp. 3157
-
-
Qafoku, N.P.1
Zachara, J.M.2
Liu, C.X.3
Gassman, P.L.4
Qafoku, O.S.5
Smith, S.C.6
-
7
-
-
22544467767
-
-
Mizuoka, K.; Grenthe, I.; Ikeda, Y. Inorg. Chem. 2005, 44, 4472.
-
(2005)
Inorg. Chem.
, vol.44
, pp. 4472
-
-
Mizuoka, K.1
Grenthe, I.2
Ikeda, Y.3
-
8
-
-
0033815465
-
-
Rybakov, V. B.; Ansalov, L. A.; Kolesnichenko, V. L.; Kulikovskii, B. N.; Volkov, S. V. Russ. J. Coord. Chem. 2000, 26, 594.
-
(2000)
Russ. J. Coord. Chem.
, vol.26
, pp. 594
-
-
Rybakov, V.B.1
Ansalov, L.A.2
Kolesnichenko, V.L.3
Kulikovskii, B.N.4
Volkov, S.V.5
-
9
-
-
0003432539
-
-
Elsevier: New York, Amsterdam
-
Grenthe, I.; Wanner, H.; Forest, I. Chemical thermodynamics of uranium', Elsevier: New York, Amsterdam, 1992.
-
(1992)
Chemical Thermodynamics of Uranium
-
-
Grenthe, I.1
Wanner, H.2
Forest, I.3
-
10
-
-
0032192589
-
-
Eelless, M. P.; Lee, S. Y. Water, Air, Soil Pollut. 1998, 107, 147-162.
-
(1998)
Water, Air, Soil Pollut.
, vol.107
, pp. 147-162
-
-
Eelless, M.P.1
Lee, S.Y.2
-
11
-
-
0035218617
-
-
Echevarria, G.; Sheppard, M. I.; Morel, J.; Aviramt, A. J. Environ. Radioact. 2001, 53, 257.
-
(2001)
J. Environ. Radioact.
, vol.53
, pp. 257
-
-
Echevarria, G.1
Sheppard, M.I.2
Morel, J.3
Aviramt, A.4
-
12
-
-
0032533451
-
-
Abdelouas, A.; Lutze, W.; Nuttall, E. J. Contam. Hydrol 1998, 34, 343-361.
-
(1998)
J. Contam. Hydrol
, vol.34
, pp. 343-361
-
-
Abdelouas, A.1
Lutze, W.2
Nuttall, E.3
-
13
-
-
22044441126
-
-
Gu, B. H.; Wu, W.-M.; Vogel, M. A. G.; Yan, H.; Fields, M. W.; Zhou, J. Z.; Fendorf, S.; Criddle, C.; Jardine, P. M. Environ. Sci. Technol 2005, 39, 4841.
-
(2005)
Environ. Sci. Technol
, vol.39
, pp. 4841
-
-
Gu, B.H.1
Wu, W.-M.2
Vogel, M.A.G.3
Yan, H.4
Fields, M.W.5
Zhou, J.Z.6
Fendorf, S.7
Criddle, C.8
Jardine, P.M.9
-
14
-
-
10344231512
-
-
Iwatsuki, T.; Arthur, R.; Ota, K.; Metcalfe, R. Radiochim. Acta 2004, 92, 789.
-
(2004)
Radiochim. Acta
, vol.92
, pp. 789
-
-
Iwatsuki, T.1
Arthur, R.2
Ota, K.3
Metcalfe, R.4
-
15
-
-
22044441126
-
-
Gu, B. H.; Wu, W.-M.; Ginder-Vogel, M. A.; Yan, H.; Fields, M. W.; Zhou, J. Z.; Fendorf, S.; Criddle, C.; Jardine, P. M. Environ. Sci. Technol. 2005, 39, 4841.
-
(2005)
Environ. Sci. Technol.
, vol.39
, pp. 4841
-
-
Gu, B.H.1
Wu, W.-M.2
Ginder-Vogel, M.A.3
Yan, H.4
Fields, M.W.5
Zhou, J.Z.6
Fendorf, S.7
Criddle, C.8
Jardine, P.M.9
-
16
-
-
0027608546
-
-
Mizuguchi, K.; Park, Y.-Y.; Tomiyasu, H. J. Nucl. Sci. Technol. 1993, 30, 542.
-
(1993)
J. Nucl. Sci. Technol.
, vol.30
, pp. 542
-
-
Mizuguchi, K.1
Park, Y.-Y.2
Tomiyasu, H.3
-
17
-
-
0037107881
-
-
Duff, M. C.; Coughlin, J. U.; Hunter, D. B. Geochim. Cosmochim. Acta 2002, 66, 3533-3547.
-
(2002)
Geochim. Cosmochim. Acta
, vol.66
, pp. 3533-3547
-
-
Duff, M.C.1
Coughlin, J.U.2
Hunter, D.B.3
-
18
-
-
0037080127
-
-
Fuller, C. C.; Bargar, J. R.; Davis, J. A.; Piana, M. J. Environ. Sci. Technol. 2002, 36, 158.
-
(2002)
Environ. Sci. Technol.
, vol.36
, pp. 158
-
-
Fuller, C.C.1
Bargar, J.R.2
Davis, J.A.3
Piana, M.J.4
-
19
-
-
0031259960
-
-
Mason, C. F. V.; Turney, W. R. J. R.; Thomson, B. M.; Lu, N.; Longmire, P. A.; Brause, C. J. C. Environ. Sci. Technol. 1997, 31, 2707.
-
(1997)
Environ. Sci. Technol.
, vol.31
, pp. 2707
-
-
Mason, C.F.V.1
Turney, W.R.J.R.2
Thomson, B.M.3
Lu, N.4
Longmire, P.A.5
Brause, C.J.C.6
-
20
-
-
0033890131
-
-
Qiu, S. R.; Lai, H.-F.; Roberson, M. J.; Hunt, M. L.; Amrhein, C.; Giancarlo, L. C.; Flynn, G. W.; Yarmoff, J. A. Langmuir 2000, 16, 2230.
-
(2000)
Langmuir
, vol.16
, pp. 2230
-
-
Qiu, S.R.1
Lai, H.-F.2
Roberson, M.J.3
Hunt, M.L.4
Amrhein, C.5
Giancarlo, L.C.6
Flynn, G.W.7
Yarmoff, J.A.8
-
25
-
-
0042090337
-
-
Sykes, A. G., Ed.; Academic Press: New York
-
Nash, K. L.; Sullivan, J. C. Kinetics and Mechanisms of Actinide Redox and Complexation Reactions; Sykes, A. G., Ed.; Academic Press: New York, 1986; Vol. 5, p 185.
-
(1986)
Kinetics and Mechanisms of Actinide Redox and Complexation Reactions
, vol.5
, pp. 185
-
-
Nash, K.L.1
Sullivan, J.C.2
-
26
-
-
0033384616
-
Surface catalysis of uranium(VI) reduction by iron(II)-Spectroscopic evidence for sorption and reduction
-
Liger, E.; Charlet, L.; Van Cappellen, P. Surface catalysis of uranium(VI) reduction by iron(II)-Spectroscopic evidence for sorption and reduction. Geochim. Cosmochim. acta 1999, 63, 2939.
-
(1999)
Geochim. Cosmochim. Acta
, vol.63
, pp. 2939
-
-
Liger, E.1
Charlet, L.2
Van Cappellen, P.3
-
27
-
-
19944401883
-
-
Ilton, E. S.; Haiduc, A.; Cahill, C. L.; Felmy, A. R. Inorg. Chem. 2005, 44, 2986.
-
(2005)
Inorg. Chem.
, vol.44
, pp. 2986
-
-
Ilton, E.S.1
Haiduc, A.2
Cahill, C.L.3
Felmy, A.R.4
-
28
-
-
0037473090
-
-
Privalov, T.; Schimmelpfennig, B.; Wahlgren, U.; Grenthe, I. J. Phys. Chem. A 2003, 107, 587.
-
(2003)
Phys. Chem. A
, vol.107
, pp. 587
-
-
Privalov, T.1
Schimmelpfennig, B.2
Wahlgren, U.3
Grenthe, I.J.4
-
31
-
-
24944468186
-
-
Mizuoka, K.; Tsushima, S.; Hasegawa, M.; Hoshi, T.; Ikeda, Y. Inorg. Chem. 2005, 44, 6211.
-
(2005)
Inorg. Chem.
, vol.44
, pp. 6211
-
-
Mizuoka, K.1
Tsushima, S.2
Hasegawa, M.3
Hoshi, T.4
Ikeda, Y.5
-
32
-
-
0025673255
-
-
Valiela, I.; Costa, J.; Foreman, K.; Teal, J. M.; Howes, B.; Aubrey, D. Biogeochemistry 1990, 10, 177.
-
(1990)
Biogeochemistry
, vol.10
, pp. 177
-
-
Valiela, I.1
Costa, J.2
Foreman, K.3
Teal, J.M.4
Howes, B.5
Aubrey, D.6
-
33
-
-
0003439385
-
-
Oak Ridge, Tennessee, Technical Information Center, Office of Public Affairs, U.S. Energy Research and Development Administration: Springfield, Virginia
-
Newton, T. W. The Kinetics of the Oxidation-Reduction Reactions of Uranium, Neptunium, Plutonium and Americium in Aqueous Solutions; Oak Ridge, Tennessee, Technical Information Center, Office of Public Affairs, U.S. Energy Research and Development Administration: Springfield, Virginia, 1975; Vol. TID-26506.
-
(1975)
The Kinetics of the Oxidation-reduction Reactions of Uranium, Neptunium, Plutonium and Americium in Aqueous Solutions
, vol.TID-26506
-
-
Newton, T.W.1
-
34
-
-
0034884720
-
-
Bernhard, G.; Geipel, G.; Reich, T.; Brendler, V.; Amayri, S.; Nitsche, H. Radiochim. Acta 2001, 89, 511.
-
(2001)
Radiochim. Acta
, vol.89
, pp. 511
-
-
Bernhard, G.1
Geipel, G.2
Reich, T.3
Brendler, V.4
Amayri, S.5
Nitsche, H.6
-
35
-
-
0037961570
-
-
Rosso, K. M.; Smith, D. M. A.; Dupuis, M. J. Chem. Phys. 2003, 118, 6455.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 6455
-
-
Rosso, K.M.1
Smith, D.M.A.2
Dupuis, M.3
-
38
-
-
20844463089
-
-
Iordanova, N.; Dupuis, M.; Rosso, K. M. J. Chem. Phys. 2005, 122, 144305.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 144305
-
-
Iordanova, N.1
Dupuis, M.2
Rosso, K.M.3
-
42
-
-
0036495415
-
-
Polihronov, J. G.; Hedstrom, M.; Hummel, R. E.; Cheng, H.-P. J. Luminesc. 2002, 96, 119.
-
(2002)
J. Luminesc.
, vol.96
, pp. 119
-
-
Polihronov, J.G.1
Hedstrom, M.2
Hummel, R.E.3
Cheng, H.-P.4
-
48
-
-
84925711387
-
-
Melchionna, S.; Ciccotti, G.; Holian, B. L. Mol. Phys. 1993, 78, 533.
-
(1993)
Mol. Phys.
, vol.78
, pp. 533
-
-
Melchionna, S.1
Ciccotti, G.2
Holian, B.L.3
-
56
-
-
26844509303
-
-
Hagberg, D.; Karlstrom, G.; Roos, B. O.; Gagliardi, L. J. Am. Chem. Soc. 2005, 127, 14250.
-
(2005)
Am. Chem. Soc.
, vol.127
, pp. 14250
-
-
Hagberg, D.1
Karlstrom, G.2
Roos, B.O.3
Gagliardi, L.J.4
-
57
-
-
0029776585
-
-
Pavese, A.; Catti, M.; Parker, S. C.; Wall, A. Phys. Chem. Miner. 1996, 23, 89.
-
(1996)
Phys. Chem. Miner.
, vol.23
, pp. 89
-
-
Pavese, A.1
Catti, M.2
Parker, S.C.3
Wall, A.4
-
58
-
-
0001329605
-
-
de Leeuw, N. H.; Parker, S. C. J. Phys. Chem, B 1998, 102, 2914.
-
(1998)
Phys. Chem, B
, vol.102
, pp. 2914
-
-
Leeuw, N.H.1
Parker, S.C.J.2
-
60
-
-
9744271720
-
-
Kristensen, R.; Stipp, S. L. S.; Refson, K. J. Chem. Phys. 2004, 121, 8511.
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 8511
-
-
Kristensen, R.1
Stipp, S.L.S.2
Refson, K.3
-
61
-
-
17444429943
-
-
Kerisit, S.; Cooke, D. J.; Spagnoli, D.; Parker, S. C. J. Mater. Chem. 2005, 15, 1454.
-
(2005)
J. Mater. Chem.
, vol.15
, pp. 1454
-
-
Kerisit, S.1
Cooke, D.J.2
Spagnoli, D.3
Parker, S.C.4
-
62
-
-
0000882945
-
-
Hemmingsen, L.; Amara, P.; Ansoborlo, E.; Field, M. J. J. Phys. Chem. A 2000, 104, 4095.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 4095
-
-
Hemmingsen, L.1
Amara, P.2
Ansoborlo, E.3
Field, M.J.4
-
63
-
-
0035907429
-
-
Gagliardi, L.; Grenthe, I.; Roos, B. O. Inorg. Chem. 2001, 40, 2976.
-
(2001)
Inorg. Chem.
, vol.40
, pp. 2976
-
-
Gagliardi, L.1
Grenthe, I.2
Roos, B.O.3
-
64
-
-
0141591621
-
-
Vazquez, J.; Bo, C.; Poblet, J. M.; de Pablo, J.; Bruno, J. Inorg. Chem. 2003, 42, 6136.
-
(2003)
Inorg. Chem.
, vol.42
, pp. 6136
-
-
Vazquez, J.1
Bo, C.2
Poblet, J.M.3
De Pablo, J.4
Bruno, J.5
-
65
-
-
36549091825
-
-
Curtiss, L. A.; Halley, J. W.; Hautman, J.; Rahman, A. J. Chem. Phys. 1987, 86, 2319.
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 2319
-
-
Curtiss, L.A.1
Halley, J.W.2
Hautman, J.3
Rahman, A.4
-
67
-
-
0242338386
-
-
Pacific Northwest National Laboratory: Richland, WA
-
Aprà, E.; Windus, T. L.; Straatsma, T. P.; Bylaska, E. J.; de Jong, W.; Hirata, S.; Valiev, M.; Hackler, M.; Pollack, L.; Kowalski, K.; Harrison, R.; Dupuis, M.; Smith, D. M. A.; Nieplocha, J.; V., T.; Krishnan, M.; Auer, A. A.; Brown, E.; Cisneros, G.; Fann, G.; Fruchtl, H.; Garza, J.; Hirao, K.; Kendall, R.; Nichols, J.; Tsemekhman, K.; Wolinski, K.; Anchell, J.; Bernholdt, D.; Borowski, P.; Clark, T.; Clerc, D.; Dachsei, H.; Deegan, M.; Dyall, K.; Elwood, D.; Glendening, E.; Gutowski, M.; Hess, A.; Jaffe, J.; Johnson, B.; Ju, J.; Kobayashi, R.; Kutten, R.; Lin, Z.; Littlefield, R.; Long, X.; Meng, B.; Nakajima, T.; Niu, S.; Rosing, M.; Sandrone, G.; Stave, M.; Taylor, H.; Thomas, G.; van Lenthe, J.; Wong, A.; Zhang, Z. NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.7; Pacific Northwest National Laboratory: Richland, WA, 2005.
-
(2005)
NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.7
-
-
Aprà, E.1
Windus, T.L.2
Straatsma, T.P.3
Bylaska, E.J.4
De Jong, W.5
Hirata, S.6
Valiev, M.7
Hackler, M.8
Pollack, L.9
Kowalski, K.10
Harrison, R.11
Dupuis, M.12
Smith, D.M.A.13
Nieplocha, J.14
T., V.15
Krishnan, M.16
Auer, A.A.17
Brown, E.18
Cisneros, G.19
Fann, G.20
Fruchtl, H.21
Garza, J.22
Hirao, K.23
Kendall, R.24
Nichols, J.25
Tsemekhman, K.26
Wolinski, K.27
Anchell, J.28
Bernholdt, D.29
Borowski, P.30
Clark, T.31
Clerc, D.32
Dachsei, H.33
Deegan, M.34
Dyall, K.35
Elwood, D.36
Glendening, E.37
Gutowski, M.38
Hess, A.39
Jaffe, J.40
Johnson, B.41
Ju, J.42
Kobayashi, R.43
Kutten, R.44
Lin, Z.45
Littlefield, R.46
Long, X.47
Meng, B.48
Nakajima, T.49
Niu, S.50
Rosing, M.51
Sandrone, G.52
Stave, M.53
Taylor, H.54
Thomas, G.55
Van Lenthe, J.56
Wong, A.57
Zhang, Z.58
more..
-
68
-
-
33751157732
-
-
Stevens, 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
-
-
Stevens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
72
-
-
33645949559
-
-
Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654.
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 3654
-
-
Francl, M.M.1
Pietro, W.J.2
Hehre, W.J.3
Binkley, J.S.4
Gordon, M.S.5
Defrees, D.J.6
Pople, J.A.7
-
73
-
-
0001508425
-
-
Rassolov, V.; Pople, J. A.; Ratner, M.; Windus, T. L. J. Chem. Phys. 1998, 109, 1223.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 1223
-
-
Rassolov, V.1
Pople, J.A.2
Ratner, M.3
Windus, T.L.4
-
74
-
-
26844534384
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
75
-
-
84986468715
-
-
Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. V. R. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
76
-
-
22244450646
-
-
Ortiz, J. V.; Hay, P. J.; Martin, R. L. J. Am. Chem. Soc. 1992, 114, 2736.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 2736
-
-
Ortiz, J.V.1
Hay, P.J.2
Martin, R.L.3
-
77
-
-
0039209924
-
-
Schafer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5829
-
-
Schafer, A.1
Huber, C.2
Ahlrichs, R.3
-
78
-
-
84858945813
-
-
http://www.emsl.pnl.gov/forms/basisform.html.
-
-
-
-
79
-
-
15744375697
-
-
Gaussian, Inc.: Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V. Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A. Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J. Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Kiene, M.; Li X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J. Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R. Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A. Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D. Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G. Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A. Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03W, revision C.2; Gaussian, Inc.: Wallingford, CT, 2004.
-
(2004)
Gaussian 03W, Revision C.2
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Kiene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
80
-
-
0000411005
-
-
Farazdel, A.; Dupuis, M.; Clementi, E.; Aviramt, A. J. Am. Chem. Soc. 1990, 112, 4206.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 4206
-
-
Farazdel, A.1
Dupuis, M.2
Clementi, E.3
Aviramt, A.4
-
81
-
-
0001498401
-
-
Docrat, T. I.; Mosselmans, J. F. W.; Charnock, J. M.; Whiteley, M. W.; Collison, D.; Livens, F. R.; Jones, C.; Edmiston, M. J. Inorg. Chem. 1999, 38, 1879.
-
(1999)
Inorg. Chem.
, vol.38
, pp. 1879
-
-
Docrat, T.I.1
Mosselmans, J.F.W.2
Charnock, J.M.3
Whiteley, M.W.4
Collison, D.5
Livens, F.R.6
Jones, C.7
Edmiston, M.J.8
-
82
-
-
0000494362
-
-
Cora, F.; Stachiotti, M. G.; Callow, C. J. Phys. Chem. 1997, 101, 3945.
-
(1997)
J. Phys. Chem.
, vol.101
, pp. 3945
-
-
Cora, F.1
Stachiotti, M.G.2
Callow, C.3
-
85
-
-
0037054670
-
-
Polo, V.; Kraka, E.; Cremer, D. Mol. Phys. 2002, 100, 1771.
-
(2002)
Mol. Phys.
, vol.100
, pp. 1771
-
-
Polo, V.1
Kraka, E.2
Cremer, D.3
-
86
-
-
3142689346
-
-
Polo, V.; Kraka, E.; Cremer, D. Theor. Chem. Acc. 2002, 107, 291.
-
(2002)
Theor. Chem. Acc.
, vol.107
, pp. 291
-
-
Polo, V.1
Kraka, E.2
Cremer, D.3
-
90
-
-
0242314685
-
-
Skodje, R. T.; Truhlar, D. G.; Garrett, B. C. J. Chem. Phys. 1982, 77, 5955.
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 5955
-
-
Skodje, R.T.1
Truhlar, D.G.2
Garrett, B.C.3
-
97
-
-
1242320138
-
-
Moraes, J. E.; Quina, F. H.; Nascimento, C. A.; Silva, D. N.; Chiavone-Filho, O. Environ. Sci. Technol. 2004, 58, 1183.
-
(2004)
Environ. Sci. Technol.
, vol.58
, pp. 1183
-
-
Moraes, J.E.1
Quina, F.H.2
Nascimento, C.A.3
Silva, D.N.4
Chiavone-Filho, O.5
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