-
3
-
-
68949197617
-
-
Delfino, R T.; Ribeiro, T. S.; Figueroa-Villar, J. D. J. Braz. Chem. Soc. 2009, 20, 407-428.
-
(2009)
J. Braz. Chem. Soc.
, vol.20
, pp. 407-428
-
-
Delfino, R.T.1
Ribeiro, T.S.2
Figueroa-Villar, J.D.3
-
4
-
-
31344434531
-
-
Tokuda, Y.; Kikuchi, M.; Takahashi, O.; Stein, G. H. Resuscitation 2006, 68, 193-202.
-
(2006)
Resuscitation
, vol.68
, pp. 193-202
-
-
Tokuda, Y.1
Kikuchi, M.2
Takahashi, O.3
Stein, G.H.4
-
5
-
-
0030879612
-
-
Holstege, C. P.; Kirk, M.; Sidell, F. R. Crit. Care Clin. 1997, 13, 923-942.
-
(1997)
Crit. Care Clin.
, vol.13
, pp. 923-942
-
-
Holstege, C.P.1
Kirk, M.2
Sidell, F.R.3
-
6
-
-
0001304990
-
-
Wagner, G. W.; Bartram, P. W.; Koper, O.; Klabunde, K. J. J. Phys. Chem. B 1999, 103, 3225-3228.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 3225-3228
-
-
Wagner, G.W.1
Bartram, P.W.2
Koper, O.3
Klabunde, K.J.4
-
7
-
-
0000606545
-
-
Wagner, G. W.; Koper, O. B.; Lucas, E.; Decker, S.; Klabunde, K.J. J. Phys. Chem. B 2000, 104, 5118-5123.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 5118-5123
-
-
Wagner, G.W.1
Koper, O.B.2
Lucas, E.3
Decker, S.4
Klabunde, K.J.5
-
8
-
-
0035961577
-
-
Wagner, G. W.; Procell, L. R.; O'Connor, R. J.; Munavalli, S.; Carnes, C. L.; Kapoor, P. N.; Klabunde, k J. J. Am. Chem. Soc. 2001,123, 1636-1644.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 1636-1644
-
-
Wagner, G.W.1
Procell, L.R.2
O'Connor, R.J.3
Munavalli, S.4
Carnes, C.L.5
Kapoor, P.N.6
Klabunde, K.J.7
-
11
-
-
0037136821
-
-
Kanan, S. M.; Lu, Z.; Tripp, C. P. J. Phys. Chem. B 2002, 106, 9576-9580.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 9576-9580
-
-
Kanan, S.M.1
Lu, Z.2
Tripp, C.P.3
-
12
-
-
0037448505
-
-
Mitchell, M. B.; Sheinker, V. N.; Tesfamichael, A. B.; Gatimu, E. N.; Nunley, M. J. Phys. Chem. B 2003, 107, 580-586.
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 580-586
-
-
Mitchell, M.B.1
Sheinker, V.N.2
Tesfamichael, A.B.3
Gatimu, E.N.4
Nunley, M.5
-
14
-
-
33947401088
-
-
Gordon, W. O.; Tissue, B. M.; Morris, J. R J. Phys. Chem. C 2007, 111, 3233-3240.
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 3233-3240
-
-
Gordon, W.O.1
Tissue, B.M.2
Morris, J.R.3
-
15
-
-
27744534918
-
-
Silva, G. R; Borges, I., Jr.; Villar, J. D. F. Int. J. Quantum Chem. 2005, 105, 260-269.
-
(2005)
Int. J. Quantum Chem.
, vol.105
, pp. 260-269
-
-
Silva, G.R.1
Borges Jr., I.2
Villar, J.D.F.3
-
20
-
-
2442426569
-
-
Michalkova, A; Ilchenko, M.; Gorb, L.; Leszczynski, J. J. Phys. Chem. B 2004, 108, 5294-5303.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 5294-5303
-
-
Michalkova, A.1
Ilchenko, M.2
Gorb, L.3
Leszczynski, J.4
-
21
-
-
33947497631
-
-
Michalkova, A.; Paukku, Y.; Majumdar, D.; Leszczynski, J. Chem. Phys. Lett. 2007, 438, 72-77.
-
(2007)
Chem. Phys. Lett.
, vol.438
, pp. 72-77
-
-
Michalkova, A.1
Paukku, Y.2
Majumdar, D.3
Leszczynski, J.4
-
22
-
-
46249111272
-
-
Paukku, Y.; Michalkova, A.; Leszczynski, J. Struct. Chem. 2008, 320, 307-320.
-
(2008)
Struct. Chem.
, vol.320
, pp. 307-320
-
-
Paukku, Y.1
Michalkova, A.2
Leszczynski, J.3
-
23
-
-
65249178997
-
-
Paukku, Y.; Michalkova, A.; Leszczynski, J. J. Phys. Chem. C 2009, 113, 1474-1485.
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 1474-1485
-
-
Paukku, Y.1
Michalkova, A.2
Leszczynski, J.3
-
24
-
-
34447285281
-
-
Arizaga, G. G. C; Satyanarayana, K. G; Wypych, F. Solid State Ionics 2007, 178, 1143-1162.
-
(2007)
Solid State Ionics
, vol.178
, pp. 1143-1162
-
-
Arizaga, G.G.C.1
Satyanarayana, K.G.2
Wypych, F.3
-
27
-
-
0032781812
-
-
Pavan, P.C.; Crepaldi, E. L.; Gomes, G. A.; Valim, J. B. Colloids Surf. A 1999, 154, 399-410.
-
(1999)
Colloids Surf. A
, vol.154
, pp. 399-410
-
-
Pavan, P.C.1
Crepaldi, E.L.2
Gomes, G.A.3
Valim, J.B.4
-
28
-
-
58149209736
-
-
Ulibarri, M. A.; Pavlovic, I.; Hermosfín, M. C; Cornejo, J. Appl. Clay Sci. 1995, 10, 131-145.
-
(1995)
Appl. Clay Sci.
, vol.10
, pp. 131-145
-
-
Ulibarri, M.A.1
Pavlovic, I.2
Hermosfín, M.C.3
Cornejo, J.4
-
30
-
-
0036695046
-
-
You, Y.; Zhao, H.; Vance, g. F. Appl. Clay Sci. 2002,21, 217-226.
-
(2002)
Appl. Clay Sci.
, vol.21
, pp. 217-226
-
-
You, Y.1
Zhao, H.2
Vance, G.F.3
-
32
-
-
34547269749
-
-
Delorme, F.; Seron, A; Gautier, A; Crouzet, C. J. Mater. Sci. 2007, 42, 5799-5804.
-
(2007)
J. Mater. Sci.
, vol.42
, pp. 5799-5804
-
-
Delorme, F.1
Seron, A.2
Gautier, A.3
Crouzet, C.4
-
33
-
-
66649088858
-
-
Vaiss, V. S.; Berg, R. A.; Ferreira, A R; Borges, I., Jr.; Leitâo, A A J. Phys. Chem. A 2009, 113, 6494-6499.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 6494-6499
-
-
Vaiss, V.S.1
Berg, R.A.2
Ferreira, A.R.3
Borges Jr., I.4
Leitâo, A.A.5
-
34
-
-
49149098317
-
-
Costa, D. G; Rocha, A. B.; Souza, W. F.; Chiaro, S. S. X.; Leitâo, A. A. J. Phys. Chem. C 2008, 112, 10681-10687.
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 10681-10687
-
-
Costa, D.G.1
Rocha, A.B.2
Souza, W.F.3
Chiaro, S.S.X.4
Leitâo, A.A.5
-
35
-
-
77955888322
-
-
Costa, D. G; Rocha, A. B.; Souza, W. F.; Chiaro, S. S. X.; Leitâo, A A. J. Phys. Chem. C 2010, 114, 14133-14140.
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 14133-14140
-
-
Costa, D.G.1
Rocha, A.B.2
Souza, W.F.3
Chiaro, S.S.X.4
Leitâo, A.A.5
-
36
-
-
79953278353
-
-
Costa, D. G; Rocha, A. B.; Souza, W. F.; Chiaro, S. S. X.; Leitâo, A A J. Phys. Chem. B 2011, 115, 3531-3537.
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 3531-3537
-
-
Costa, D.G.1
Rocha, A.B.2
Souza, W.F.3
Chiaro, S.S.X.4
Leitâo, A.A.5
-
37
-
-
1342344780
-
-
Michalkova, A.; Gorb, L.; Ilchenko, M.; Zhikol, O. A.; Shishkin, O. V; Leszczynski, J. J. Phys. Chem. B 2004, 108, 1918-1930.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 1918-1930
-
-
Michalkova, A.1
Gorb, L.2
Ilchenko, M.3
Zhikol, O.A.4
Shishkin, O.V.5
Leszczynski, J.6
-
38
-
-
33751302871
-
-
Michalkova, A; Martinez, J.; Zhikol, O. A.; Gorb, L.; Shishkin, O. V; Leszczynska, D.; Leszczynski, J. J. Phys. Chem. B 2006, 110, 21175-21183.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 21175-21183
-
-
Michalkova, A.1
Martinez, J.2
Zhikol, O.A.3
Gorb, L.4
Shishkin, O.V.5
Leszczynska, D.6
Leszczynski, J.7
-
40
-
-
0001268423
-
-
Hartzell, C. J.; Cygan, R T.; Nagy, K. L. J. Phys. Chem. A 1998, 102, 6722-6729.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 6722-6729
-
-
Hartzell, C.J.1
Cygan, R.T.2
Nagy, K.L.3
-
41
-
-
84857325362
-
-
http://www.pwscf.org
-
Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density-functional theory, and coordinated by Paolo Giannozzi. See http://www.quantum-espresso. org and http://www.pwscf.org.
-
-
-
-
46
-
-
11944256577
-
-
Payne, M. C; Teter, M. P.; Allan, D. C; Arias, T. A;Joannopoulos, J. D. Rev. Mod. Phys. 1992, 64, 1045-1097.
-
(1992)
Rev. Mod. Phys.
, vol.64
, pp. 1045-1097
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
50
-
-
0034513054
-
-
Henkelman, J.; Uberuaga, B. P.; Jonsson, H. J. Chem. Phys. 2000, 113, 9901-9904.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9901-9904
-
-
Henkelman, J.1
Uberuaga, B.P.2
Jonsson, H.3
-
51
-
-
0035527113
-
-
Walker, A. R. H; Suenram, R. D.; Samuels, A; Jensen, J.; Ellzy, M. W.; Lochner, J. M.; Zeroka, D. J. Mol. Spectrosc. 2001, 207, 77-82.
-
(2001)
J. Mol. Spectrosc.
, vol.207
, pp. 77-82
-
-
Walker, A.R.H.1
Suenram, R.D.2
Samuels, A.3
Jensen, J.4
Ellzy, M.W.5
Lochner, J.M.6
Zeroka, D.7
-
52
-
-
4344622466
-
-
Kaczmarek, A; Gorb, L.; Sadlej, A. J.; Leszczynski, J. Struct. Chem. 2004, 15, 517-525.
-
(2004)
Struct. Chem.
, vol.15
, pp. 517-525
-
-
Kaczmarek, A.1
Gorb, L.2
Sadlej, A.J.3
Leszczynski, J.4
-
53
-
-
0000521451
-
-
Kuiper, A. E. T.; van Bokhoven, J. J. V M.; Medema, J. J. Catal. 1976, 43, 154-167.
-
(1976)
J. Catal.
, vol.43
, pp. 154-167
-
-
Kuiper, A.E.T.1
Van Bokhoven, J.J.V.M.2
Medema, J.3
-
55
-
-
79952689304
-
-
Sorescu,D. C;Lee,J.; Al-Saidi,W. A;Jordan,KD.J. Chem.Phys. 2011, 134, 104707-1-104707-12.
-
(2011)
J. Chem.Phys.
, vol.134
, pp. 1047071-10470712
-
-
Sorescu, D.C.1
Lee, J.2
Al-Saidi, W.A.3
Jordan, K.D.4
-
56
-
-
0001225025
-
-
Sponer, J.; Leszczynski, J.; Hobza, P. J. Comput. Chem. 1996, 17, 841-850.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 841-850
-
-
Sponer, J.1
Leszczynski, J.2
Hobza, P.3
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