-
1
-
-
0027842956
-
-
10.1080/01614949308013915 1:CAS:528:DyaK2cXosV2gtQ%3D%3D
-
KC Taylor 1993 Catal Rev Sci Eng 35 457 10.1080/01614949308013915 1:CAS:528:DyaK2cXosV2gtQ%3D%3D
-
(1993)
Catal Rev Sci Eng
, vol.35
, pp. 457
-
-
Taylor, K.C.1
-
2
-
-
84913476745
-
Reaction mechanisms in catalysis by metals
-
CRC Press, Boca Raton
-
Ertl G (1982) Reaction mechanisms in catalysis by metals. In: Critical reviews in solid state and materials science, vol 10. CRC Press, Boca Raton, p 349
-
(1982)
Critical Reviews in Solid State and Materials Science
, vol.10
, pp. 349
-
-
Ertl, G.1
-
3
-
-
0001308629
-
-
10.1021/cr950234e 1:CAS:528:DyaK28Xjt1yhtbk%3D
-
GA Somorjai 1996 Chem Rev 96 1223 10.1021/cr950234e 1:CAS:528: DyaK28Xjt1yhtbk%3D
-
(1996)
Chem Rev
, vol.96
, pp. 1223
-
-
Somorjai, G.A.1
-
6
-
-
0029820626
-
-
10.1126/science.273.5282.1688 1:CAS:528:DyaK28XlslGqu7k%3D
-
T Zambelli J Wintterlin J Trost G Ertl 1996 Science 273 1688 10.1126/science.273.5282.1688 1:CAS:528:DyaK28XlslGqu7k%3D
-
(1996)
Science
, vol.273
, pp. 1688
-
-
Zambelli, T.1
Wintterlin, J.2
Trost, J.3
Ertl, G.4
-
7
-
-
12844254253
-
Ammonia synthesis from first-principles calculations
-
DOI 10.1126/science.1106435
-
K Honkala A Hellman IN Remediakis A Logadottir A Carlsson S Dahl CH Christensen JK Nørskov 2005 Science 307 555 10.1126/science.1106435 1:CAS:528:DC%2BD2MXmslOjuw%3D%3D (Pubitemid 40165675)
-
(2005)
Science
, vol.307
, Issue.5709
, pp. 555-558
-
-
Honkala, K.1
Hellman, A.2
Remediakis, I.N.3
Logadottir, A.4
Carlsson, A.5
Dahl, S.6
Christensen, C.H.7
Norskov, J.K.8
-
8
-
-
0001311727
-
-
10.1016/S0360-0564(08)60514-3 1:CAS:528:DC%2BD3cXltV2iuw%3D%3D
-
BE Nieuwenhuys 1999 Adv Catal 44 259 10.1016/S0360-0564(08)60514-3 1:CAS:528:DC%2BD3cXltV2iuw%3D%3D
-
(1999)
Adv Catal
, vol.44
, pp. 259
-
-
Nieuwenhuys, B.E.1
-
9
-
-
52649163611
-
-
T Zubkov GA Morgan Jr JT Yates Jr O Kuhlert M Lisowski R Schillinger D Fick HJ Jänsch 2003 Surf Sci 57 526
-
(2003)
Surf Sci
, vol.57
, pp. 526
-
-
Zubkov, T.1
Morgan Jr., G.A.2
Yates Jr., J.T.3
Kuhlert, O.4
Lisowski, M.5
Schillinger, R.6
Fick, D.7
Jänsch, H.J.8
-
10
-
-
0042597557
-
-
10.1103/PhysRevLett.83.3681 1:CAS:528:DyaK1MXmvFKkt7g%3D
-
B Hammer 1999 Phys Rev Lett 83 3681 10.1103/PhysRevLett.83.3681 1:CAS:528:DyaK1MXmvFKkt7g%3D
-
(1999)
Phys Rev Lett
, vol.83
, pp. 3681
-
-
Hammer, B.1
-
12
-
-
0037659831
-
Carbon monoxide dissociation on planar and stepped Ru(0001) surfaces
-
DOI 10.1021/jp030010x
-
IM Ciobica RA van Santen 2003 J Phys Chem B 107 3808 10.1021/jp030010x 1:CAS:528:DC%2BD3sXisVaksbY%3D (Pubitemid 43677171)
-
(2003)
Journal of Physical Chemistry B
, vol.107
, Issue.16
, pp. 3808-3812
-
-
Ciobica, I.M.1
Van Santen, R.A.2
-
15
-
-
27744460065
-
-
10.1103/PhysRevB.49.14251 1:CAS:528:DyaK2cXkvFKrtL4%3D
-
G Kresse J Hafner 1994 Phys Rev B 49 14251 10.1103/PhysRevB.49.14251 1:CAS:528:DyaK2cXkvFKrtL4%3D
-
(1994)
Phys Rev B
, vol.49
, pp. 14251
-
-
Kresse, G.1
Hafner, J.2
-
16
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
-
G Kresse J Furthmuller 1996 Comput Mater Sci 6 15 10.1016/0927-0256(96) 00008-0 1:CAS:528:DyaK28XmtFWgsrk%3D (Pubitemid 126412269)
-
(1996)
Computational Materials Science
, vol.6
, Issue.1
, pp. 15-50
-
-
Kresse, G.1
Furthmuller, J.2
-
17
-
-
25744460922
-
-
10.1103/PhysRevB.50.17953
-
PE Blochl 1994 Phys Rev B 50 17953 10.1103/PhysRevB.50.17953
-
(1994)
Phys Rev B
, vol.50
, pp. 17953
-
-
Blochl, P.E.1
-
18
-
-
0011236321
-
-
10.1103/PhysRevB.59.1758 1:CAS:528:DyaK1MXkt12nug%3D%3D
-
G Kresse J Joubert 1999 Phys Rev B 59 1758 10.1103/PhysRevB.59.1758 1:CAS:528:DyaK1MXkt12nug%3D%3D
-
(1999)
Phys Rev B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, J.2
-
19
-
-
4243943295
-
-
10.1103/PhysRevLett.77.3865 1:CAS:528:DyaK28XmsVCgsbs%3D
-
JP Perdew K Burke M Ernzerhof 1996 Phys Rev Lett 77 3865 10.1103/PhysRevLett.77.3865 1:CAS:528:DyaK28XmsVCgsbs%3D
-
(1996)
Phys Rev Lett
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
20
-
-
1242329035
-
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
-
DOI 10.1063/1.1323224
-
G Henkelman H Jònsson 2000 J Chem Phys 113 9978 10.1063/1.1323224 1:CAS:528:DC%2BD3cXosFagu7Y%3D (Pubitemid 32076892)
-
(2000)
Journal of Chemical Physics
, vol.113
, Issue.22
, pp. 9978-9985
-
-
Henkelman, G.1
Jonsson, H.2
-
22
-
-
0033878961
-
Nitrogen on ruthenium single-crystal surfaces
-
DOI 10.1002/(SICI)1521-396X(200001)177:1<37::AID-PSSA37>3.0.CO;2-Y
-
K Jacobi 2000 Phys Status Solid 177 37 10.1002/(SICI)1521-396X(200001) 177:1<37::AID-PSSA37>3.0.CO;2-Y 1:CAS:528:DC%2BD3cXps1Wmsg%3D%3D (Pubitemid 30556115)
-
(2000)
Physica Status Solidi (A) Applied Research
, vol.177
, Issue.1
, pp. 37-51
-
-
Jacobi, K.1
-
27
-
-
0038679501
-
-
10.1063/1.1570392 1:CAS:528:DC%2BD3sXjvVGruro%3D
-
Y Fan HP Bonzel K Jacobi 2003 J Chem Phys 118 9773 10.1063/1.1570392 1:CAS:528:DC%2BD3sXjvVGruro%3D
-
(2003)
J Chem Phys
, vol.118
, pp. 9773
-
-
Fan, Y.1
Bonzel, H.P.2
Jacobi, K.3
-
30
-
-
85013980731
-
-
Nilsson A, Pettersson LGM, Nørskov JK (eds) Elsevier, Amsterdam, The Netherlands, chap 2 and 4
-
Nilsson A, Pettersson LGM (2008) In: Nilsson A, Pettersson LGM, Nørskov JK (eds) Chemical bonding at surfaces and interfaces. Elsevier, Amsterdam, The Netherlands, chap 2 and 4
-
(2008)
Chemical Bonding at Surfaces and Interfaces
-
-
Nilsson, A.1
Lgm, P.2
-
33
-
-
28244448579
-
2 on the stepped Ru(1 0 9) surface
-
DOI 10.1016/j.susc.2005.07.043, PII S0039602805009301
-
YK Kim GA Morgan JT Yates 2005 Surf Sci 598 14 10.1016/j.susc.2005.07.043 1:CAS:528:DC%2BD2MXht1yjt7fI (Pubitemid 41706159)
-
(2005)
Surface Science
, vol.598
, Issue.1-3
, pp. 14-21
-
-
Kim, Y.K.1
Morgan Jr., G.A.2
Yates Jr., J.T.3
-
35
-
-
34548026229
-
2 on Ru(1 0 9) and Ru(0 0 1) - A detailed look at the role of atomic step and terrace sites
-
DOI 10.1016/j.susc.2007.06.019, PII S0039602807006425
-
GA Morgan DC Sorescu YK Kim JT Yates 2007 Surf Sci 601 3533 10.1016/j.susc.2007.06.019 1:CAS:528:DC%2BD2sXpsFSju7c%3D (Pubitemid 47285232)
-
(2007)
Surface Science
, vol.601
, Issue.17
, pp. 3533-3547
-
-
Morgan Jr., G.A.1
Sorescu, D.C.2
Kim, Y.K.3
Yates Jr., J.T.4
|