-
3
-
-
0000234425
-
-
O'Hara KE, Gullingsrud JR, Wolfe JP, Phys Rev B 60(15):10872, 1999.
-
(1999)
Phys Rev B
, vol.60
, Issue.15
, pp. 10872
-
-
O'Hara, K.E.1
Gullingsrud, J.R.2
Wolfe, J.P.3
-
4
-
-
21844464580
-
-
Hara M, Kondo T, Komoda M, Ikeda S, Shinohara K, Tanaka A, Kondo JN, Domen K, Chem Commun (3):357, 1998.
-
(1998)
Chem Commun
, Issue.3
, pp. 357
-
-
Hara, M.1
Kondo, T.2
Komoda, M.3
Ikeda, S.4
Shinohara, K.5
Tanaka, A.6
Kondo, J.N.7
Domen, K.8
-
5
-
-
76749129360
-
-
Du YL, Zhang N, Wang CM, Catal Commun 11(7):670, 2010.
-
(2010)
Catal Commun
, vol.11
, Issue.7
, pp. 670
-
-
Du, Y.L.1
Zhang, N.2
Wang, C.M.3
-
6
-
-
71649115531
-
-
Ohya S, Kaneco S, Katsumata H, Suzuki T, Ohta K, Catal Today 148(3-4):329, 2009.
-
(2009)
Catal Today
, vol.148
, Issue.3-4
, pp. 329
-
-
Ohya, S.1
Kaneco, S.2
Katsumata, H.3
Suzuki, T.4
Ohta, K.5
-
7
-
-
62249202118
-
-
Chang TY, Liang RM, Wu PW, Chen JY, Hsieh YC, Mater Lett 63(12):1001, 2009.
-
(2009)
Mater Lett
, vol.63
, Issue.12
, pp. 1001
-
-
Chang, T.Y.1
Liang, R.M.2
Wu, P.W.3
Chen, J.Y.4
Hsieh, Y.C.5
-
8
-
-
68749106299
-
-
Zheng ZK, Huang BB, Wang ZY, Guo M, Qin XY, Zhang XY, Wang P, Dai Y, J Phys Chem C 113(32):14448, 2009.
-
(2009)
J Phys Chem C
, vol.113
, Issue.32
, pp. 14448
-
-
Zheng, Z.K.1
Huang, B.B.2
Wang, Z.Y.3
Guo, M.4
Qin, X.Y.5
Zhang, X.Y.6
Wang, P.7
Dai, Y.8
-
9
-
-
0032635494
-
-
Casarin M, Maccato C, Vigato N, Vittadini A, Appl Surf Sci 142(1-4):164, 1999.
-
(1999)
Appl Surf Sci
, vol.142
, Issue.1-4
, pp. 164
-
-
Casarin, M.1
MacCato, C.2
Vigato, N.3
Vittadini, A.4
-
10
-
-
14944357695
-
-
Soon A, Sohnel T, Idriss H, Surf Sci 579(2-3):131, 2005.
-
(2005)
Surf Sci
, vol.579
, Issue.2-3
, pp. 131
-
-
Soon, A.1
Sohnel, T.2
Idriss, H.3
-
13
-
-
4444363914
-
-
Jiang Y, Adams JB, Sun DH, J Phys Chem B 108(34):12851, 2004.
-
(2004)
J Phys Chem B
, vol.108
, Issue.34
, pp. 12851
-
-
Jiang, Y.1
Adams, J.B.2
Sun, D.H.3
-
14
-
-
34249903092
-
-
Sun BZ, Chen WK, Wang X, Lu CH, Appl Surf Sci 253(18):7501, 2007.
-
(2007)
Appl Surf Sci
, vol.253
, Issue.18
, pp. 7501
-
-
Sun, B.Z.1
Chen, W.K.2
Wang, X.3
Lu, C.H.4
-
15
-
-
43949107920
-
-
Chen WK, Sun BZ, Wang X, Lu CH, J Theor Comput Chem 7(2):263, 2008.
-
(2008)
J Theor Comput Chem
, vol.7
, Issue.2
, pp. 263
-
-
Chen, W.K.1
Sun, B.Z.2
Wang, X.3
Lu, C.H.4
-
16
-
-
64949154998
-
-
Islam MM, Diawara B, Maurice V, Marcus P, J Mol Struct (Theochem) 903(1-3):41, 2009.
-
(2009)
J Mol Struct (Theochem)
, vol.903
, Issue.1-3
, pp. 41
-
-
Islam, M.M.1
Diawara, B.2
Maurice, V.3
Marcus, P.4
-
17
-
-
65549164715
-
-
Islam MM, Diawara B, Maurice V, Marcus P, Surf Sci 603(13):2087, 2009.
-
(2009)
Surf Sci
, vol.603
, Issue.13
, pp. 2087
-
-
Islam, M.M.1
Diawara, B.2
Maurice, V.3
Marcus, P.4
-
18
-
-
77950594774
-
-
Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, Soon A, Stamp C, Appl Surf Sci 256(15):4764, 2010.
-
(2010)
Appl Surf Sci
, vol.256
, Issue.15
, pp. 4764
-
-
Altarawneh, M.1
Radny, M.W.2
Smith, P.V.3
MacKie, J.C.4
Kennedy, E.M.5
Dlugogorski, B.Z.6
Soon, A.7
Stamp, C.8
-
19
-
-
79951673086
-
-
Zhang R, Liu H, Zheng H, Ling L, Li Z, Wang B, Appl Surf Sci 257(11):4787, 2011.
-
(2011)
Appl Surf Sci
, vol.257
, Issue.11
, pp. 4787
-
-
Zhang, R.1
Liu, H.2
Zheng, H.3
Ling, L.4
Li, Z.5
Wang, B.6
-
20
-
-
67650427607
-
-
Sun BZ, Chen WK, Li Y, Lu CH, Chin J Struct Chem 28(3):311, 2009.
-
(2009)
Chin J Struct Chem
, vol.28
, Issue.3
, pp. 311
-
-
Sun, B.Z.1
Chen, W.K.2
Li, Y.3
Lu, C.H.4
-
23
-
-
70449413395
-
-
Sun BZ, Chen WK, Xu YJ, J Chem Phys 131(17):174503, 2009.
-
(2009)
J Chem Phys
, vol.131
, Issue.17
, pp. 174503
-
-
Sun, B.Z.1
Chen, W.K.2
Xu, Y.J.3
-
24
-
-
58249115242
-
-
Önsten A, Gothelid M, Karlsson UO, Surf Sci 603(2):257, 2009.
-
(2009)
Surf Sci
, vol.603
, Issue.2
, pp. 257
-
-
Önsten, A.1
Gothelid, M.2
Karlsson, U.O.3
-
25
-
-
77953290982
-
-
Li C, Wang F, Li SF, Sun Q, Jia Y, Phys Lett A 374(29):2994, 2010.
-
(2010)
Phys Lett A
, vol.374
, Issue.29
, pp. 2994
-
-
Li, C.1
Wang, F.2
Li, S.F.3
Sun, Q.4
Jia, Y.5
-
26
-
-
34249815219
-
-
Ganduglia-Pirovano MV, Hofmann A, Sauer J, Surf Sci Rep 62(6):219, 2007.
-
(2007)
Surf Sci Rep
, vol.62
, Issue.6
, pp. 219
-
-
Ganduglia-Pirovano, M.V.1
Hofmann, A.2
Sauer, J.3
-
29
-
-
70450245388
-
-
Gracia J, Prinsloo F, Niemantsverdriet J, Catal Lett 133(3):257, 2009.
-
(2009)
Catal Lett
, vol.133
, Issue.3
, pp. 257
-
-
Gracia, J.1
Prinsloo, F.2
Niemantsverdriet, J.3
-
30
-
-
77953323135
-
-
Ali AM, Emanuelsson EAC, Patterson DA, Appl Catal B: Environ 97(1-2):168, 2010.
-
(2010)
Environ
, vol.97
, Issue.1-2
, pp. 168
-
-
Ali, A.M.1
Eac, E.2
Patterson, D.A.3
Appl Catal, B.4
-
32
-
-
23244460838
-
-
Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C, Phys Rev B 46(11):6671, 1992.
-
(1992)
Phys Rev B
, vol.46
, Issue.11
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
33
-
-
4243943295
-
-
Perdew JP, Burke K, Ernzerhof M, Phys Rev Lett 77(18):3865, 1996.
-
(1996)
Phys Rev Lett
, vol.77
, Issue.18
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
34
-
-
33845735073
-
-
José MS, Emilio A, Julian DG, Alberto G, Javier J, Pablo O, Daniel S-P, J Phys Condens Matter 14(11):2745, 2002.
-
(2002)
J Phys Condens Matter
, vol.14
, Issue.11
, pp. 2745
-
-
José, M.S.1
Emilio, A.2
Julian, D.G.3
Alberto, G.4
Javier, J.5
Pablo, O.6
Daniel, S.-P.7
-
35
-
-
84886483571
-
-
Reimers JR (ed.), John Wiley & Sons, Inc., New York
-
Gale JD, in Reimers JR (ed.), Computational Methods for Large Systems, John Wiley & Sons, Inc., New York, pp. 45-75, 2011.
-
(2011)
Computational Methods for Large Systems
, pp. 45-75
-
-
Gale, J.D.1
-
39
-
-
0016103452
-
-
Manghnani MH, Brower WS, Parker HS, Phys Status Solidi A 25(1):69, 1974.
-
(1974)
Phys Status Solidi A
, vol.25
, Issue.1
, pp. 69
-
-
Manghnani, M.H.1
Brower, W.S.2
Parker, H.S.3
-
41
-
-
0003877758
-
-
87th edn. (Internet version 2007) CRC Press Boca Raton, FL
-
Lide DR, CRC Handbook of Chemistry and Physics, 87th edn. (Internet version 2007), CRC Press, Boca Raton, FL, 2007.
-
(2007)
CRC Handbook of Chemistry and Physics
-
-
Lide, D.R.1
-
43
-
-
33745753520
-
-
Henkelman G, Arnaldsson A, Jonsson H, Comput Mater Sci 36(3):354, 2006.
-
(2006)
Comput Mater Sci
, vol.36
, Issue.3
, pp. 354
-
-
Henkelman, G.1
Arnaldsson, A.2
Jonsson, H.3
-
44
-
-
11944256577
-
-
Payne MC, Teter MP, Allan DC, Arias TA, Joannopoulos JD, Rev Mod Phys 64(4):1045, 1992.
-
(1992)
Rev Mod Phys
, vol.64
, Issue.4
, pp. 1045
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
46
-
-
3643076747
-
-
Ghijsen J, Tjeng LH, Van Elp J, Eskes H, Westerink J, Sawatzky GA, Czyzyk MT, Phys Rev B 38(16):11322, 1988.
-
(1988)
Phys Rev B
, vol.38
, Issue.16
, pp. 11322
-
-
Ghijsen, J.1
Tjeng, L.H.2
Van Elp, J.3
Eskes, H.4
Westerink, J.5
Sawatzky, G.A.6
Czyzyk, M.T.7
-
47
-
-
84871760876
-
-
Laskowski R, Blaha P, Schwarz K, Phys Rev B 67(7):8, 2003.
-
(2003)
Phys Rev B
, vol.67
, Issue.7
, pp. 8
-
-
Laskowski, R.1
Blaha, P.2
Schwarz, K.3
-
48
-
-
77951962870
-
-
(Reprinted from Mol Phys 19:553 1970)
-
Boys SF, Bernardi F, Mol Phys 100(1):65, 2002 (Reprinted from Mol Phys 19:553, 1970).
-
(2002)
Mol Phys
, vol.100
, Issue.1
, pp. 65
-
-
Boys, S.F.1
Bernardi, F.2
-
50
-
-
34548218701
-
-
Yang Z, Lu Z, Luo G, Hermansson K, Phys Lett A 369(1-2):132, 2007.
-
(2007)
Phys Lett A
, vol.369
, Issue.1-2
, pp. 132
-
-
Yang, Z.1
Lu, Z.2
Luo, G.3
Hermansson, K.4
|