-
1
-
-
0001629861
-
Quantum mechanics of many-electron systems
-
Dirac PAM. 1929. Quantum mechanics of many-electron systems. Proc. R. Soc. Lond. A 123:714-33
-
(1929)
Proc. R. Soc. Lond. A
, vol.123
, pp. 714-733
-
-
Dirac, P.A.M.1
-
2
-
-
84973654655
-
Quantum theory of molecules
-
Born M, Oppenheimer R. 1927. Quantum theory of molecules. Ann. Phys. 84:457-84
-
(1927)
Ann. Phys.
, vol.84
, pp. 457-484
-
-
Born, M.1
Oppenheimer, R.2
-
3
-
-
84888595170
-
On simple gas reactions
-
Eyring H, Polanyi M. 2013. On simple gas reactions. Z. Phys. Chem. 227:1221-45
-
(2013)
Z. Phys. Chem.
, vol.227
, pp. 1221-1245
-
-
Eyring, H.1
Polanyi, M.2
-
5
-
-
84888630254
-
Probing quantum dynamics of elementary chemical reactions via accurate potential energy surfaces
-
Yang XM, Zhang DH. 2013. Probing quantum dynamics of elementary chemical reactions via accurate potential energy surfaces. Z. Phys. Chem. 227:1247-65
-
(2013)
Z. Phys. Chem.
, vol.227
, pp. 1247-1265
-
-
Yang, X.M.1
Zhang, D.H.2
-
6
-
-
51349123153
-
Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy
-
Ren ZF, Che L, QiuMH, WangXA, DongWR, et al. 2008. Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy. Proc. Natl. Acad. Sci. USA 105:12662-66
-
(2008)
Proc. Natl. Acad. Sci. USA
, vol.105
, pp. 12662-12666
-
-
Ren, Z.F.1
Che, L.2
Wangxa Dongwr, Q.3
-
7
-
-
0037044989
-
A fully state-and angle-resolved study of the H + HD D + H2 reaction: Comparison of a molecular beam experiment to ab initio quantum reaction dynamics
-
Chao SD, Harich SA, Dai DX, Wang CC, Yang XM, Skodje RT. 2002. A fully state-and angle-resolved study of the H + HD D + H2 reaction: comparison of a molecular beam experiment to ab initio quantum reaction dynamics. J. Chem. Phys. 117:8341-61
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 8341-8361
-
-
Chao, S.D.1
Harich, S.A.2
Dai, D.X.3
Wang, C.C.4
Yang, X.M.5
Skodje, R.T.6
-
8
-
-
79960662708
-
Experimental and theoretical differential cross sections for a four-atom reaction: HD + OHH2O + D
-
Xiao CL, Xu X, Liu S, Wang T, Dong WR, et al. 2011. Experimental and theoretical differential cross sections for a four-atom reaction: HD + OHH2O + D. Science 333:440-42
-
(2011)
Science
, vol.333
, pp. 440-442
-
-
Xiao, C.L.1
Xu, X.2
Liu, S.3
Wang, T.4
Dong, W.R.5
-
9
-
-
77953350208
-
Six-dimensional dynamics study of reactive and non reactive scattering of H2 from Cu(111) using a chemically accurate potential energy surface
-
Diaz C, Olsen RA, Auerbach DJ, Kroes GJ. 2010. Six-dimensional dynamics study of reactive and non reactive scattering of H2 from Cu(111) using a chemically accurate potential energy surface. Phys. Chem. Chem. Phys. 12:6499-519
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 6499-6519
-
-
Diaz, C.1
Olsen, R.A.2
Auerbach, D.J.3
Kroes, G.J.4
-
10
-
-
80053207330
-
The dissociative chemisorption of methane on Ni(100): Reaction path description of mode-selective chemistry
-
Jackson B, Nave S. 2011. The dissociative chemisorption of methane on Ni(100): reaction path description of mode-selective chemistry. J. Chem. Phys. 135:114701
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 114701
-
-
Jackson, B.1
Nave, S.2
-
11
-
-
0001038903
-
Rotational motion and the dissociation ofH2 on Cu 111
-
Darling GR, Holloway S. 1994. Rotational motion and the dissociation ofH2 on Cu(111). J. Chem. Phys. 101:3268-81
-
(1994)
J Chem. Phys.
, vol.101
, pp. 3268-3281
-
-
Darling, G.R.1
Holloway, S.2
-
12
-
-
10644250257
-
Inhomogeneous electron gas
-
Hohenberg P, Kohn W. 1964. Inhomogeneous electron gas. Phys. Rev. 136:B864-71
-
(1964)
Phys. Rev.
, vol.136
, pp. B864-B871
-
-
Hohenberg, P.1
Kohn, W.2
-
13
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
Kohn W, Sham LJ. 1965. Self-consistent equations including exchange and correlation effects. Phys. Rev. 140:A1133-38
-
(1965)
Phys. Rev.
, vol.140
, pp. A1133-A1138
-
-
Kohn, W.1
Sham, L.J.2
-
14
-
-
0033235339
-
Nobel Lecture: Electronic structure of matter-wave functions and density functionals
-
Kohn W. 1999. Nobel Lecture: electronic structure of matter-wave functions and density functionals. Rev. Mod. Phys. 71:1253-66
-
(1999)
Rev. Mod. Phys.
, vol.71
, pp. 1253-1266
-
-
Kohn, W.1
-
15
-
-
0033235336
-
Nobel Lecture: Quantum chemical models
-
Pople JA. 1999. Nobel Lecture: quantum chemical models. Rev. Mod. Phys. 71:1267-74
-
(1999)
Rev. Mod. Phys.
, vol.71
, pp. 1267-1274
-
-
Pople, J.A.1
-
16
-
-
33244454997
-
First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation at RuO2 110)
-
Reuter K, Scheffler M. 2006. First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: application to the CO oxidation at RuO2(110). Phys. Rev. B 73:045433
-
(2006)
Phys. Rev. B
, vol.73
, pp. 045433
-
-
Reuter, K.1
Scheffler, M.2
-
17
-
-
19644376158
-
The steady state of heterogeneous catalysis, studied by firstprinciples statistical mechanics
-
Reuter K, Frenkel D, Scheffler M. 2004. The steady state of heterogeneous catalysis, studied by firstprinciples statistical mechanics. Phys. Rev. Lett. 93:116105
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 116105
-
-
Reuter, K.1
Frenkel, D.2
Scheffler, M.3
-
18
-
-
4244042114
-
First-principles atomistic thermodynamics for oxidation catalysis: Surface phase diagrams and catalytically interesting regions
-
Reuter K, Scheffler M. 2003. First-principles atomistic thermodynamics for oxidation catalysis: surface phase diagrams and catalytically interesting regions. Phys. Rev. Lett. 90:046103
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 046103
-
-
Reuter, K.1
Scheffler, M.2
-
19
-
-
43049099013
-
Using scaling relations to understand trends in the catalytic activity of transition metals
-
Jones G, Bligaard T, Abild-Pedersen F, Nørskov JK. 2008. Using scaling relations to understand trends in the catalytic activity of transition metals. J. Phys. Condens. Matter 20:064239
-
(2008)
J. Phys. Condens. Matter
, vol.20
, pp. 064239
-
-
Jones, G.1
Bligaard, T.2
Abild-Pedersen, F.3
Nørskov, J.K.4
-
20
-
-
69949179566
-
Modeling ethanol decomposition on transition metals: A combined application of scaling and Brønsted-Evans-Polanyi relations
-
Ferrin P, Simonetti D, Kandoi S, Kunkes E, Dumesic JA, et al. 2009. Modeling ethanol decomposition on transition metals: a combined application of scaling and Brønsted-Evans-Polanyi relations. J. Am. Chem. Soc. 131:5809-15
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 5809-5815
-
-
Ferrin, P.1
Simonetti, D.2
Kandoi, S.3
Kunkes, E.4
Dumesic, J.A.5
-
21
-
-
34547263439
-
Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces
-
Abild-Pedersen F, Greeley J, Studt F, Rossmeisl J, Munter TR, et al. 2007. Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces. Phys. Rev. Lett. 90:016105
-
(2007)
Phys. Rev. Lett.
, vol.90
, pp. 016105
-
-
Abild-Pedersen, F.1
Greeley, J.2
Studt, F.3
Rossmeisl, J.4
Munter, T.R.5
-
22
-
-
79951951181
-
Universal Brønsted-Evans-Polanyi relations for C-C, C-O, C-N, N-O, N-N, and O-O dissociation reactions
-
Wang SG, Temel B, Shen JA, Jones G, Grabow LC, et al. 2011. Universal Brønsted-Evans-Polanyi relations for C-C, C-O, C-N, N-O, N-N, and O-O dissociation reactions. Catal. Lett. 141:370-73
-
(2011)
Catal. Lett.
, vol.141
, pp. 370-373
-
-
Wang, S.G.1
Temel, B.2
Shen, J.A.3
Jones, G.4
Grabow, L.C.5
-
23
-
-
84864955912
-
CO hydrogenation to methanol on Cu-Ni catalysts: Theory and experiment
-
Studt F, Abild-Pedersen F, Wu QX, Jensen AD, Temel B, et al. 2012. CO hydrogenation to methanol on Cu-Ni catalysts: theory and experiment. J. Catal. 293:51-60
-
(2012)
J. Catal.
, vol.293
, pp. 51-60
-
-
Studt, F.1
Abild-Pedersen, F.2
Wu, Q.X.3
Jensen, A.D.4
Temel, B.5
-
24
-
-
0034814842
-
Catalyst design by interpolation in the periodic table: Bimetallic ammonia synthesis catalysts
-
Jacobsen CJH, Dahl S, Clausen BS, Bahn S, Logadottir A, Nørskov JK. 2001. Catalyst design by interpolation in the periodic table: bimetallic ammonia synthesis catalysts. J. Am. Chem. Soc. 123:8404-5
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 8404-8405
-
-
Cjh, J.1
Dahl, S.2
Clausen, B.S.3
Bahn, S.4
Logadottir, A.5
Nørskov, J.K.6
-
26
-
-
33751042564
-
Femtochemistry at metal surfaces: Nonadiabatic reaction dynamics
-
Frischkorn C, Wolf M. 2006. Femtochemistry at metal surfaces: nonadiabatic reaction dynamics. Chem. Rev. 106:4207-33
-
(2006)
Chem. Rev.
, vol.106
, pp. 4207-4233
-
-
Frischkorn, C.1
Wolf, M.2
-
27
-
-
0036208522
-
Quantum theory of dissociative chemisorption on metal surfaces
-
Kroes GJ, Gross A, Baerends EJ, Scheffler M, McCormack DA. 2002. Quantum theory of dissociative chemisorption on metal surfaces. Acc. Chem. Res. 35:193-200
-
(2002)
Acc. Chem. Res.
, vol.35
, pp. 193-200
-
-
Kroes, G.J.1
Gross, A.2
Baerends, E.J.3
Scheffler, M.4
McCormack, D.A.5
-
28
-
-
0036132788
-
Electronic excitations by chemical reactions on metal surfaces
-
Nienhaus H. 2002. Electronic excitations by chemical reactions on metal surfaces. Surf. Sci. Rep. 45:3-78
-
(2002)
Surf. Sci. Rep.
, vol.45
, pp. 3-78
-
-
Nienhaus, H.1
-
30
-
-
0032691297
-
Six-dimensional quantum dynamics of dissociative chemisorption of H2 on metal surfaces
-
Kroes GJ. 1999. Six-dimensional quantum dynamics of dissociative chemisorption of H2 on metal surfaces. Prog. Surf. Sci. 60:1-85
-
(1999)
Prog. Surf. Sci.
, vol.60
, pp. 1-85
-
-
Kroes, G.J.1
-
31
-
-
43049165768
-
Energy transfer and chemical dynamics at solid surfaces: The special role of charge transfer
-
Wodtke AM, Matsiev D, Auerbach DJ. 2008. Energy transfer and chemical dynamics at solid surfaces: the special role of charge transfer. Prog. Surf. Sci. 83:167-214
-
(2008)
Prog. Surf. Sci.
, vol.83
, pp. 167-214
-
-
Wodtke, A.M.1
Matsiev, D.2
Auerbach, D.J.3
-
32
-
-
0036687862
-
Gas surface interactions studied with state-prepared molecules
-
Sitz GO. 2002. Gas surface interactions studied with state-prepared molecules. Rep. Prog. Phys. 65:1165-93
-
(2002)
Rep. Prog. Phys.
, vol.65
, pp. 1165-1193
-
-
Sitz, G.O.1
-
33
-
-
75749085434
-
Ultrafast surface vibrational dynamics
-
Arnolds H, Bonn M. 2010. Ultrafast surface vibrational dynamics. Surf. Sci. Rep. 65:45-66
-
(2010)
Surf. Sci. Rep.
, vol.65
, pp. 45-66
-
-
Arnolds, H.1
Bonn, M.2
-
34
-
-
34249938463
-
How non-adiabatic are surface dynamical processes
-
Hasselbrink E. 2006. How non-adiabatic are surface dynamical processes Curr. Opin. Solid State Mater. Sci. 10:192-204
-
(2006)
Curr Opin. Solid State Mater. Sci.
, vol.10
, pp. 192-204
-
-
Hasselbrink, E.1
-
35
-
-
0344598724
-
Dynamics of reactions at surfaces
-
Ertl G. 2000. Dynamics of reactions at surfaces. Adv. Catal. 45:1-69
-
(2000)
Adv. Catal.
, vol.45
, pp. 1-69
-
-
Ertl, G.1
-
36
-
-
21544454115
-
Six-dimensional dynamics of dissociative chemisorption of H2 on metal surfaces
-
Kroes GJ, Somers MF. 2005. Six-dimensional dynamics of dissociative chemisorption of H2 on metal surfaces. J. Theor. Comput. Chem. 4:493-581
-
(2005)
J. Theor. Comput. Chem.
, vol.4
, pp. 493-581
-
-
Kroes, G.J.1
Somers, M.F.2
-
37
-
-
84867730223
-
Towards chemically accurate simulation of molecule-surface reactions
-
Kroes GJ. 2012. Towards chemically accurate simulation of molecule-surface reactions. Phys. Chem. Chem. Phys. 14:14966-81
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 14966-14981
-
-
Kroes, G.J.1
-
38
-
-
0000501208
-
The adsorption of hydrogen at copper surfaces: A model system for the study of activated adsorption
-
ed. RJ Madix Berlin: Springer Verlag
-
Michelsen HA, Rettner CT, Auerbach DJ. 1994. The adsorption of hydrogen at copper surfaces: a model system for the study of activated adsorption. In Surface Reactions, ed. RJ Madix, pp. 185-237. Berlin: Springer-Verlag
-
(1994)
Surface Reactions
, pp. 185-237
-
-
Michelsen, H.A.1
Rettner, C.T.2
Auerbach, D.J.3
-
39
-
-
4243390883
-
Coupled translational-vibrational activation in dissociative hydrogen adsorption on Cu(110)
-
Hayden BE, Lamont CL. 1989. Coupled translational-vibrational activation in dissociative hydrogen adsorption on Cu(110). Phys. Rev. Lett. 63:1823-25
-
(1989)
Phys. Rev. Lett
, vol.63
, pp. 1823-1825
-
-
Hayden, B.E.1
Lamont, C.L.2
-
40
-
-
4243503877
-
Role of vibrational and translational energy in the activated dissociative adsorption of D2 on Cu 111)
-
Rettner CT, Auerbach DJ, Michelsen HA. 1992. Role of vibrational and translational energy in the activated dissociative adsorption of D2 on Cu(111). Phys. Rev. Lett. 68:1164-67
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 1164-1167
-
-
Rettner, C.T.1
Auerbach, D.J.2
Michelsen, H.A.3
-
41
-
-
36449008084
-
Quantum-state-specific dynamics of the dissociative adsorption and associative desorption of H2 at a Cu 111) surface
-
Rettner CT, Michelsen HA, Auerbach DJ. 1995. Quantum-state-specific dynamics of the dissociative adsorption and associative desorption of H2 at a Cu(111) surface. J. Chem. Phys. 102:4625-41
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 4625-4641
-
-
Rettner, C.T.1
Michelsen, H.A.2
Auerbach, D.J.3
-
42
-
-
0001081387
-
Dynamics of recombinative desorption: Angular distributions of H2 HD, and D2 desorbing from Cu 111)
-
Rettner CT, Michelsen HA, Auerbach DJ, Mullins CB. 1991. Dynamics of recombinative desorption: angular distributions of H2, HD, and D2 desorbing from Cu(111). J. Chem. Phys. 94:7499-501
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7499-7501
-
-
Rettner, C.T.1
Michelsen, H.A.2
Auerbach, D.J.3
Mullins, C.B.4
-
43
-
-
4143123531
-
State-specific dynamics ofD2 desorption from Cu 111): The role of molecular rotational motion in activated adsorption-desorption dynamics
-
MichelsenHA, Rettner CT, Auerbach DJ. 1992. State-specific dynamics ofD2 desorption from Cu(111): the role of molecular rotational motion in activated adsorption-desorption dynamics. Phys. Rev. Lett. 69:2678-81
-
(1992)
Phys. Rev. Lett.
, vol.69
, pp. 2678-2681
-
-
Michelsenha Rettner, C.T.1
Auerbach, D.J.2
-
44
-
-
36449004863
-
Effect of rotation on the translational and vibrational energy dependence of the dissociative adsorption of D2 on Cu 111)
-
Michelsen HA, Rettner CT, Auerbach DJ, Zare RN. 1993. Effect of rotation on the translational and vibrational energy dependence of the dissociative adsorption of D2 on Cu(111). J. Chem. Phys. 98:8294-307
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 8294-8307
-
-
Michelsen, H.A.1
Rettner, C.T.2
Auerbach, D.J.3
Zare, R.N.4
-
45
-
-
21144478956
-
Determination of quantum-state-specific gas-surface energy transfer and adsorption probabilities as a function of kinetic energy
-
Rettner CT, Michelsen HA, Auerbach DJ. 1993. Determination of quantum-state-specific gas-surface energy transfer and adsorption probabilities as a function of kinetic energy. Chem. Phys. 175:157-69
-
(1993)
Chem. Phys.
, vol.175
, pp. 157-169
-
-
Rettner, C.T.1
Michelsen, H.A.2
Auerbach, D.J.3
-
46
-
-
0000892295
-
Alignment of D2(v, J) desorbed from Cu 111): Low sensitivity of activated dissociative chemisorption to approach geometry
-
Gulding SJ, Wodtke AM, Hou H, Rettner CT, Michelsen HA, Auerbach DJ. 1996. Alignment of D2(v, J) desorbed from Cu(111): low sensitivity of activated dissociative chemisorption to approach geometry. J. Chem. Phys. 105:9702-5
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 9702-9705
-
-
Gulding, S.J.1
Wodtke, A.M.2
Hou, H.3
Rettner, C.T.4
Michelsen, H.A.5
Auerbach, D.J.6
-
47
-
-
0030867867
-
The stereodynamics of a gas-surface reaction
-
HouH, Gulding SJ, Rettner CT, Wodtke AM, Auerbach DJ. 1997. The stereodynamics of a gas-surface reaction. Science 277:80-82
-
(1997)
Science
, vol.277
, pp. 80-82
-
-
Houh Gulding, S.J.1
Rettner, C.T.2
Wodtke, A.M.3
Auerbach, D.J.4
-
48
-
-
4243819162
-
Observation of direct vibrational excitation in collisions of H2 and D2 with a Cu 111) surface
-
Rettner CT, Auerbach DJ, Michelsen HA. 1992. Observation of direct vibrational excitation in collisions of H2 and D2 with a Cu(111) surface. Phys. Rev. Lett. 68:2547-50
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 2547-2550
-
-
Rettner, C.T.1
Auerbach, D.J.2
Michelsen, H.A.3
-
49
-
-
0000956902
-
Energy transfer and vibrational effects in the dissociation and scattering of D2 from Cu(111)
-
Hodgson A, Moryl J, Traversaro P, Zhao H. 1992. Energy transfer and vibrational effects in the dissociation and scattering of D2 from Cu(111). Nature 356:501-4
-
(1992)
Nature
, vol.356
, pp. 501-504
-
-
Hodgson, A.1
Moryl, J.2
Traversaro, P.3
Zhao, H.4
-
50
-
-
23244460838
-
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
-
Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, et al. 1992. Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 46:6671-87
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671-6687
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
-
51
-
-
0000405820
-
Inverted vibrational distributions fromN2 recombination at Ru 001): Evidence for a metastable molecular chemisorption well
-
Murphy MJ, Skelly JF, Hodgson A, Hammer B. 1999. Inverted vibrational distributions fromN2 recombination at Ru(001): evidence for a metastable molecular chemisorption well. J. Chem. Phys. 110:6954-62
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6954-6962
-
-
Murphy, M.J.1
Skelly, J.F.2
Hodgson, A.3
Hammer, B.4
-
52
-
-
70449348245
-
Chemically accurate simulation of a prototypical surface reaction: H2 dissociation on Cu(111)
-
Diaz C, Pijper E, OlsenRA, Busnengo HF, Auerbach DJ, Kroes GJ. 2009. Chemically accurate simulation of a prototypical surface reaction: H2 dissociation on Cu(111). Science 326:832-34
-
(2009)
Science
, vol.326
, pp. 832-834
-
-
Diaz, C.1
Pijper, E.2
Olsenra Busnengo, H.F.3
Auerbach, D.J.4
Kroes, G.J.5
-
53
-
-
0000315503
-
Direct dynamics for free radical kinetics in solution: Solvent effect on the rate constant for the reaction of methanol with atomic hydrogen
-
Chuang YY, Radhakrishnan ML, Fast PL, Cramer CJ, Truhlar DG. 1999. Direct dynamics for free radical kinetics in solution: solvent effect on the rate constant for the reaction of methanol with atomic hydrogen. J. Phys. Chem. A 103:4893-909
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 4893-4909
-
-
Chuang, Y.Y.1
Radhakrishnan, M.L.2
Fast, P.L.3
Cramer, C.J.4
Truhlar, D.G.5
-
55
-
-
4243606192
-
Unified approach for molecular dynamics and density-functional theory
-
Car R, Parrinello M. 1985. Unified approach for molecular dynamics and density-functional theory. Phys. Rev. Lett. 55:2471-74
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471-2474
-
-
Car, R.1
Parrinello, M.2
-
56
-
-
84862217491
-
Effect of surface motion on the rotational quadrupole alignment parameter of D2 reacting on Cu(111)
-
Nattino F, Diaz C, Jackson B, Kroes GJ. 2012. Effect of surface motion on the rotational quadrupole alignment parameter of D2 reacting on Cu(111). Phys. Rev. Lett. 108:236104
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 236104
-
-
Nattino, F.1
Diaz, C.2
Jackson, B.3
Kroes, G.J.4
-
57
-
-
78650463008
-
Apparent failure of the Born-Oppenheimer static surface model for vibrational excitation of molecular hydrogen on copper
-
Kroes G-J, Diaz C, Pijper E, Olsen RA, Auerbach DJ. 2010. Apparent failure of the Born-Oppenheimer static surface model for vibrational excitation of molecular hydrogen on copper. Proc. Natl. Acad. Sci. USA 107:20881-86
-
(2010)
Proc. Natl. Acad. Sci. USA
, vol.107
, pp. 20881-20886
-
-
Kroes, G.-J.1
Diaz, C.2
Pijper, E.3
Olsen, R.A.4
Auerbach, D.J.5
-
58
-
-
34547649365
-
Theoretical evidence for nonadiabatic vibrational deexcitation in H2 D2) state-to-state scattering from Cu 100)
-
Luntz AC, Persson M, Sitz GO. 2006. Theoretical evidence for nonadiabatic vibrational deexcitation in H2(D2) state-to-state scattering from Cu(100). J. Chem. Phys. 124:091101
-
(2006)
J. Chem. Phys
, vol.124
, pp. 091101
-
-
Luntz, A.C.1
Persson, M.2
Sitz, G.O.3
-
59
-
-
0035281109
-
State-to-state scattering in a reactive system: H2(v = 1, J = 1) from Cu 100)
-
Watts E, Sitz GO. 2001. State-to-state scattering in a reactive system: H2(v = 1, J = 1) from Cu(100). J. Chem. Phys. 114:4171-79
-
(2001)
J. Chem. Phys
, vol.114
, pp. 4171-4179
-
-
Watts, E.1
Sitz, G.O.2
-
60
-
-
24144447941
-
State-to-state scattering of D2 from Cu(100) and Pd 111)
-
Shackman LC, Sitz GO. 2005. State-to-state scattering of D2 from Cu(100) and Pd(111). J. Chem. Phys. 123:064712
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 064712
-
-
Shackman, L.C.1
Sitz, G.O.2
-
61
-
-
84865165543
-
Vibrational deexcitation and rotational excitation of H2 and D2 scattered from Cu(111): Adiabatic versus non-adiabatic dynamics
-
Muzas AS, Juaristi JI, Alducin M, Dez Muĩ no R, Kroes G, Daz C. 2012. Vibrational deexcitation and rotational excitation of H2 and D2 scattered from Cu(111): adiabatic versus non-adiabatic dynamics. J. Chem. Phys. 137:064707
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 064707
-
-
Muzas, A.S.1
Juaristi, J.I.2
Alducin, M.3
Déz Muĩ No, R.4
Kroes, G.5
Daz, C.6
-
62
-
-
84897911540
-
Electronic friction dominates hydrogen hot-atom relaxation on Pd(100)
-
Blanco-Rey M, Juaristi JI, Dez Muĩ no R, Busnengo HF, Kroes GJ, Alducin M. 2014. Electronic friction dominates hydrogen hot-atom relaxation on Pd(100). Phys. Rev. Lett. 112:103203
-
(2014)
Phys. Rev. Lett.
, vol.112
, pp. 103203
-
-
Blanco-Rey, M.1
Juaristi, J.I.2
Déz Muĩ No, R.3
Busnengo, H.F.4
Kroes, G.J.5
Alducin, M.6
-
63
-
-
76349114963
-
Methane dissociation and adsorption on Ni(111), Pt(111), Ni(100), Pt(100), and Pt(110)-(1×2): Energetic study
-
Nave S, Tiwari AK, Jackson B. 2010. Methane dissociation and adsorption on Ni(111), Pt(111), Ni(100), Pt(100), and Pt(110)-(1×2): energetic study. J. Chem. Phys. 132:054705
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 054705
-
-
Nave, S.1
Tiwari, A.K.2
Jackson, B.3
-
64
-
-
0037113155
-
Surface reactivity of highly vibrationally excited molecules prepared by pulsed laser excitation: CH4 (23) on Ni 100)
-
Schmid MP, Maroni P, Beck RD, Rizzo TR. 2002. Surface reactivity of highly vibrationally excited molecules prepared by pulsed laser excitation: CH4 (23) on Ni(100). J. Chem. Phys. 117:8603-6
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 8603-8606
-
-
Schmid, M.P.1
Maroni, P.2
Beck, R.D.3
Rizzo, T.R.4
-
65
-
-
0141865707
-
Vibrational mode-specific reaction of methane on a nickel surface
-
Beck RD, Maroni P, Papageorgopoulos DC, Dang TT, Schmid MP, Rizzo TR. 2003. Vibrational mode-specific reaction of methane on a nickel surface. Science 302:98-100
-
(2003)
Science
, vol.302
, pp. 98-100
-
-
Beck, R.D.1
Maroni, P.2
Papageorgopoulos, D.C.3
Dang, T.T.4
Schmid, M.P.5
Rizzo, T.R.6
-
66
-
-
27744580502
-
State-resolved gas-surface reactivity of methane in the symmetric C-H stretch vibration on Ni 100)
-
Maroni P, Papageorgopoulos DC, Sacchi M, Dang TT, Beck RD, Rizzo TR. 2005. State-resolved gas-surface reactivity of methane in the symmetric C-H stretch vibration on Ni(100). Phys. Rev. Lett. 94:246104
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 246104
-
-
Maroni, P.1
Papageorgopoulos, D.C.2
Sacchi, M.3
Dang, T.T.4
Beck, R.D.5
Rizzo, T.R.6
-
67
-
-
38049098547
-
State-resolved reactivity ofCH4(23) on Pt 111) andNi 111): Effects of barrier height and transition state location
-
Bisson R, Sacchi M, Dang TT, Yoder B, Maroni P, Beck RD. 2007. State-resolved reactivity ofCH4(23) on Pt(111) andNi(111): effects of barrier height and transition state location. J. Phys. Chem. A 111:12679-83
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 12679-12683
-
-
Bisson, R.1
Sacchi, M.2
Dang, T.T.3
Yoder, B.4
Maroni, P.5
Beck, R.D.6
-
68
-
-
77957728511
-
Mode-specific reactivity of CH4 on Pt 110)-(1 2): The concerted role of stretch and bend excitation
-
Bisson R, Sacchi M, Beck RD. 2010. Mode-specific reactivity of CH4 on Pt(110)-(1 2): the concerted role of stretch and bend excitation. Phys. Rev. B 82:121404
-
(2010)
Phys. Rev. B
, vol.82
, pp. 121404
-
-
Bisson, R.1
Sacchi, M.2
Beck, R.D.3
-
69
-
-
0000163643
-
Eigenstate-resolved studies of gas-surface reactivity: CH4 (3) dissociation on Ni 100)
-
Juurlink LBF, McCabe PR, Smith RR, DiCologero CL, Utz AL. 1999. Eigenstate-resolved studies of gas-surface reactivity: CH4 (3) dissociation on Ni(100). Phys. Rev. Lett. 83:868-71
-
(1999)
Phys. Rev. Lett.
, vol.83
, pp. 868-871
-
-
Lbf, J.1
McCabe, P.R.2
Smith, R.R.3
Dicologero, C.L.4
Utz, A.L.5
-
70
-
-
2442446290
-
Preference for vibrational over translational energy in a gas-surface reaction
-
Smith RR, Killelea DR, DelSesto DF, Utz AL. 2004. Preference for vibrational over translational energy in a gas-surface reaction. Science 304:992-95
-
(2004)
Science
, vol.304
, pp. 992-995
-
-
Smith, R.R.1
Killelea, D.R.2
Delsesto, D.F.3
Utz, A.L.4
-
71
-
-
25644436394
-
Comparative study of C-H stretch and bend vibrations in methane activation on Ni(100) and Ni 111)
-
Juurlink LBF, Smith RR, Killelea DR, Utz AL. 2005. Comparative study of C-H stretch and bend vibrations in methane activation on Ni(100) and Ni(111). Phys. Rev. Lett. 94:208303
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 208303
-
-
Lbf, J.1
Smith, R.R.2
Killelea, D.R.3
Utz, A.L.4
-
72
-
-
38949193291
-
Bond-selective control of a heterogeneously catalyzed reaction
-
Killelea DR, Campbell VL, Shuman NS, Utz AL. 2008. Bond-selective control of a heterogeneously catalyzed reaction. Science 319:790-93
-
(2008)
Science
, vol.319
, pp. 790-793
-
-
Killelea, D.R.1
Campbell, V.L.2
Shuman, N.S.3
Utz, A.L.4
-
73
-
-
84867010721
-
Vibrationally bond-selected chemisorption of methane isotopologues on Pt(111) studied by reflection absorption infrared spectroscopy
-
Chen L, Ueta H, Bisson R, Beck RD. 2012. Vibrationally bond-selected chemisorption of methane isotopologues on Pt(111) studied by reflection absorption infrared spectroscopy. Faraday Discuss. 157:285-95
-
(2012)
Faraday Discuss
, vol.157
, pp. 285-295
-
-
Chen, L.1
Ueta, H.2
Bisson, R.3
Beck, R.D.4
-
74
-
-
84878919199
-
Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy
-
Chen L, Ueta H, Bisson R, Beck RD. 2013. Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy. Rev. Sci. Instrum. 84:053902
-
(2013)
Rev. Sci. Instrum.
, vol.84
, pp. 053902
-
-
Chen, L.1
Ueta, H.2
Bisson, R.3
Beck, R.D.4
-
75
-
-
77955103086
-
Steric effects in the chemisorption of vibrationally excited methane on Ni 100)
-
Yoder BL, Bisson R, Beck RD. 2010. Steric effects in the chemisorption of vibrationally excited methane on Ni(100). Science 329:553-56
-
(2010)
Science
, vol.329
, pp. 553-556
-
-
Yoder, B.L.1
Bisson, R.2
Beck, R.D.3
-
76
-
-
84887946594
-
Quantum state-resolved CH4 dissociation on Pt(111): Coverage dependent barrier heights from experiment and density functional theory
-
Ueta H, Chen L, Beck RD, Colon-Diaz I, Jackson B. 2013. Quantum state-resolved CH4 dissociation on Pt(111): coverage dependent barrier heights from experiment and density functional theory. Phys. Chem. Chem. Phys. 15:20526-35
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 20526-20535
-
-
Ueta, H.1
Chen, L.2
Beck, R.D.3
Colon-Diaz, I.4
Jackson, B.5
-
77
-
-
71049146234
-
Surface temperature dependence of methane activation on Ni 111)
-
Killelea DR, Campbell VL, Shuman NS, Smith RR, Utz AL. 2009. Surface temperature dependence of methane activation on Ni(111). J. Phys. Chem. C 113:20618-22
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 20618-20622
-
-
Killelea, D.R.1
Campbell, V.L.2
Shuman, N.S.3
Smith, R.R.4
Utz, A.L.5
-
78
-
-
84887960845
-
Onthe origin of mode and bond selectivity in vibrationally mediated reactions on surfaces
-
Killelea DR, Utz AL. 2013. Onthe origin of mode and bond selectivity in vibrationally mediated reactions on surfaces. Phys. Chem. Chem. Phys. 15:20545-54
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 20545-20554
-
-
Killelea, D.R.1
Utz, A.L.2
-
79
-
-
84880831404
-
State-resolved reactivity of methane (2 + 4) on Ni 111)
-
Chen N, Huang YL, Utz AL. 2013. State-resolved reactivity of methane (2 + 4) on Ni(111). J. Phys. Chem. A 117:6250-55
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 6250-6255
-
-
Chen, N.1
Huang, Y.L.2
Utz, A.L.3
-
80
-
-
77958091403
-
Quantum dynamics of dissociative chemisorption of CH4 on Ni(111): Influence of the bending vibration
-
Krishnamohan GP, Olsen RA, Kroes GJ, Gatti F, Woittequand S. 2010. Quantum dynamics of dissociative chemisorption of CH4 on Ni(111): influence of the bending vibration. J. Chem. Phys. 133:144308
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 144308
-
-
Krishnamohan, G.P.1
Olsen, R.A.2
Kroes, G.J.3
Gatti, F.4
Woittequand, S.5
-
81
-
-
84880017093
-
Mode selectivity in methane dissociative chemisorption on Ni(111)
-
Jiang B, Liu R, Li J, Xie DQ, Yang MH, Guo H. 2013. Mode selectivity in methane dissociative chemisorption on Ni(111). Chem. Sci. 4:3249-54
-
(2013)
Chem. Sci.
, vol.4
, pp. 3249-3254
-
-
Jiang, B.1
Liu, R.2
Li, J.3
Xie, D.Q.4
Yang, M.H.5
Guo, H.6
-
82
-
-
84894494336
-
Towards bond selective chemistry from first principles: Methane on metal surfaces
-
Shen XJ, Lozano A, Dong W, Busnengo HF, Yan XH. 2014. Towards bond selective chemistry from first principles: methane on metal surfaces. Phys. Rev. Lett. 112:046101
-
(2014)
Phys. Rev. Lett.
, vol.112
, pp. 046101
-
-
Shen, X.J.1
Lozano, A.2
Dong, W.3
Busnengo, H.F.4
Yan, X.H.5
-
83
-
-
84877728704
-
The dissociative chemisorption of methane onNi(111): The effects of molecular vibration and lattice motion
-
Jackson B, Nave S. 2013. The dissociative chemisorption of methane onNi(111): the effects of molecular vibration and lattice motion. J. Chem. Phys. 138:174705
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 174705
-
-
Jackson, B.1
Nave, S.2
-
84
-
-
84903362625
-
The dissociative chemisorption of methane on Ni(100) and Ni(111): Classical and quantum studies based on the reaction path Hamiltonian
-
Mastromatteo M, Jackson B. 2013. The dissociative chemisorption of methane on Ni(100) and Ni(111): classical and quantum studies based on the reaction path Hamiltonian. J. Chem. Phys. 139:194701
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 194701
-
-
Mastromatteo, M.1
Jackson, B.2
-
85
-
-
77956332438
-
Vibrational mode-selective chemistry: Methane dissociation on Ni 100)
-
Nave S, Jackson B. 2010. Vibrational mode-selective chemistry: methane dissociation on Ni(100). Phys. Rev. B 81:233408
-
(2010)
Phys. Rev. B
, vol.81
, pp. 233408
-
-
Nave, S.1
Jackson, B.2
-
86
-
-
18744363371
-
Quantum dynamics of complex molecular systems
-
Miller WH. 2005. Quantum dynamics of complex molecular systems. Proc. Natl. Acad. Sci. USA 102:6660-64
-
(2005)
Proc. Natl. Acad. Sci. USA
, vol.102
, pp. 6660-6664
-
-
Miller, W.H.1
-
87
-
-
80455174396
-
Mode-specific chemisorption ofCH4 on Pt{110}-(1 2) explored by first-principles molecular dynamics
-
SacchiM, Wales DJ, Jenkins SJ. 2011. Mode-specific chemisorption ofCH4 on Pt{110}-(1 2) explored by first-principles molecular dynamics. J. Phys. Chem. C 115:21832-42
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 21832-21842
-
-
Sacchim Wales, D.J.1
Jenkins, S.J.2
-
88
-
-
84868525105
-
Mode-specificity and transition state-specific energy redistribution in the chemisorption of CH4 on Ni{100}
-
Sacchi M, Wales DJ, Jenkins SJ. 2012. Mode-specificity and transition state-specific energy redistribution in the chemisorption of CH4 on Ni{100}. Phys. Chem. Chem. Phys. 14:15879-87
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 15879-15887
-
-
Sacchi, M.1
Wales, D.J.2
Jenkins, S.J.3
-
89
-
-
84898959748
-
Ab initio molecular dynamics calculations versus quantum-state-resolved experiments on CHD3 + Pt(111): New insights into a prototypical gas-surface reaction
-
Nattino F, Ueta H, Chadwick H, van Reijzen ME, Beck RD, et al. 2014. Ab initio molecular dynamics calculations versus quantum-state-resolved experiments on CHD3 + Pt(111): new insights into a prototypical gas-surface reaction. J. Phys. Chem. Lett. 5:1294-99
-
(2014)
J. Phys. Chem. Lett.
, vol.5
, pp. 1294-1299
-
-
Nattino, F.1
Ueta, H.2
Chadwick, H.3
Van Reijzen, M.E.4
Beck, R.D.5
-
90
-
-
0037159071
-
Reactive and diffractive scattering ofH2 from Pt 111) studied using a six-dimensional wave packet method
-
Pijper E, Kroes GJ, Olsen RA, Baerends EJ. 2002. Reactive and diffractive scattering ofH2 from Pt(111) studied using a six-dimensional wave packet method. J. Chem. Phys. 117:5885-98
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 5885-5898
-
-
Pijper, E.1
Kroes, G.J.2
Olsen, R.A.3
Baerends, E.J.4
-
91
-
-
41449116791
-
Role of electron-hole pair excitations in the dissociative adsorption of diatomic molecules on metal surfaces
-
Juaristi JI, Alducin M, Dez Muĩ no R, Busnengo HF, Salin A. 2008. Role of electron-hole pair excitations in the dissociative adsorption of diatomic molecules on metal surfaces. Phys. Rev. Lett. 100:116102
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 116102
-
-
Juaristi, J.I.1
Alducin, M.2
Dez Muĩ No, R.3
Busnengo, H.F.4
Salin, A.5
-
92
-
-
0038340363
-
Indirect evidence for strong nonadiabatic coupling inN2 associative desorption from and dissociative adsorption on Ru 0001)
-
Diekh oner L, Hornekaer L, Mortensen H, Jensen E, Baurichter A, et al. 2001. Indirect evidence for strong nonadiabatic coupling inN2 associative desorption from and dissociative adsorption on Ru(0001). J. Chem. Phys. 117:5018-30
-
(2001)
J. Chem. Phys.
, vol.117
, pp. 5018-5030
-
-
Diekh Oner, L.1
Hornekaer, L.2
Mortensen, H.3
Jensen, E.4
Baurichter, A.5
-
93
-
-
0035890780
-
N2 dissociative adsorption on Ru 0001): The role of energy loss
-
Diekh oner L, Mortensen H, Baurichter A, Jensen E, Petrunin VV, Luntz AC. 2001. N2 dissociative adsorption on Ru(0001): the role of energy loss. J. Chem. Phys. 115:9028-35
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 9028-9035
-
-
Diekhöner, L.1
Mortensen, H.2
Baurichter, A.3
Jensen, E.4
Petrunin, V.V.5
Luntz, A.C.6
-
94
-
-
0242589756
-
Dynamics of high-barrier surface reactions: Laser-assisted associative desorption of N2 from Ru 0001)
-
Diekh oner L, Mortensen H, Baurichter A, Luntz AC, Hammer B. 2000. Dynamics of high-barrier surface reactions: laser-assisted associative desorption of N2 from Ru(0001). Phys. Rev. Lett. 84:4906-9
-
(2000)
Phys. Rev. Lett.
, vol.84
, pp. 4906-4909
-
-
Diekhöner, L.1
Mortensen, H.2
Baurichter, A.3
Luntz, A.C.4
Hammer, B.5
-
95
-
-
33748995377
-
Reactive and nonreactive scattering of N2 from Ru 0001): A six-dimensional adiabatic study
-
Daz C, Vincent JK, Krishnamohan GP, Olsen RA, Kroes GJ, et al. 2006. Reactive and nonreactive scattering of N2 from Ru(0001): a six-dimensional adiabatic study. J. Chem. Phys. 125:114706
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 114706
-
-
Daz, C.V.1
-
96
-
-
33746876779
-
Vibrational energy transfer of CO/Cu 100): Nonadiabatic vibration/electron coupling
-
Morin M, Levinos NJ, Harris AL. 1992. Vibrational energy transfer of CO/Cu(100): nonadiabatic vibration/electron coupling. J. Chem. Phys. 96:3950-56
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 3950-3956
-
-
Morin, M.1
Levinos, N.J.2
Harris, A.L.3
-
97
-
-
4243863333
-
Infrared fluorescence from a monolayer of CO on NaCl 100)
-
Chang H-C, Ewing GE. 1990. Infrared fluorescence from a monolayer of CO on NaCl(100). Phys. Rev. Lett. 65:2125-28
-
(1990)
Phys. Rev. Lett.
, vol.65
, pp. 2125-2128
-
-
Chang, H.-C.1
Ewing, G.E.2
-
98
-
-
39349085246
-
Vibrational lifetimes of cyanide and carbon monoxide on noble and transition metal surfaces
-
Forsblom M, Persson M. 2007. Vibrational lifetimes of cyanide and carbon monoxide on noble and transition metal surfaces. J. Chem. Phys. 127:154303
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 154303
-
-
Forsblom, M.1
Persson, M.2
-
99
-
-
6244250720
-
Molecular-orbital calculations of the lifetimes of the vibrational modes of CO on Cu 100)
-
Head-Gordon M, Tully JC. 1992. Molecular-orbital calculations of the lifetimes of the vibrational modes of CO on Cu(100). Phys. Rev. B 46:1853-56
-
(1992)
Phys. Rev. B
, vol.46
, pp. 1853-1856
-
-
Head-Gordon, M.1
Tully, J.C.2
-
100
-
-
33746887743
-
Vibrational lifetimes of molecular adsorbates on metal surfaces
-
Krishna V, Tully JC. 2006. Vibrational lifetimes of molecular adsorbates on metal surfaces. J. Chem. Phys. 125:054706
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 054706
-
-
Krishna, V.1
Tully, J.C.2
-
101
-
-
84874983375
-
Real-time observation of surface bond breaking with an X-ray laser
-
Dell'Angela M, Anniyev T, Beye M, Coffee R, Fohlisch A, et al. 2013. Real-time observation of surface bond breaking with an X-ray laser. Science 339:1302-5
-
(2013)
Science
, vol.339
, pp. 1302-1305
-
-
Dell'Angela, M.1
Anniyev, T.2
Beye, M.3
Coffee, R.4
Fohlisch, A.5
-
102
-
-
84872705039
-
Observation of direct vibrational excitation in gas-surface collisions of CO with Au 111): A new model system for surface dynamics
-
Schäfer T, BartelsN, Golibrzuch K, Bartels C, Koeckert H, et al. 2013. Observation of direct vibrational excitation in gas-surface collisions of CO with Au(111): a new model system for surface dynamics. Phys. Chem. Chem. Phys. 15:1863-67
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 1863-1867
-
-
Schäfer, T.1
Bartels, N.2
Golibrzuch, K.3
Bartels, C.4
Koeckert, H.5
-
103
-
-
84908316063
-
Electron hole pair mediated vibrational excitation in CO scattering from Au(111): Incidence energy and surface temperature dependence
-
Shirhatti P, Werdecker J, Golibrzuch K, Wodtke AM, Bartels C. 2014. Electron hole pair mediated vibrational excitation in CO scattering from Au(111): incidence energy and surface temperature dependence. J. Chem. Phys. 141:124704
-
(2014)
J. Chem. Phys.
, vol.141
, pp. 124704
-
-
Shirhatti, P.1
Werdecker, J.2
Golibrzuch, K.3
Wodtke, A.M.4
Bartels, C.5
-
104
-
-
79960122232
-
Quantifying the breakdown of the Born-Oppenheimer approximation in surface chemistry
-
Rahinov I, CooperR, Matsiev D, Bartels C, Auerbach DJ, Wodtke AM. 2011. Quantifying the breakdown of the Born-Oppenheimer approximation in surface chemistry. Phys. Chem. Chem. Phys. 13:12680-92
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 12680-12692
-
-
Rahinov, I.1
Cooperr Matsiev, D.2
Bartels, C.3
Auerbach, D.J.4
Wodtke, A.M.5
-
105
-
-
81355161285
-
Energy transfer at metal surfaces: The need to go beyond the electronic friction picture
-
Bartels C, Cooper R, Auerbach DJ, Wodtke AM. 2011. Energy transfer at metal surfaces: the need to go beyond the electronic friction picture. Chem. Sci. 2:1647-55
-
(2011)
Chem. Sci.
, vol.2
, pp. 1647-1655
-
-
Bartels, C.1
Cooper, R.2
Auerbach, D.J.3
Wodtke, A.M.4
-
106
-
-
0011647075
-
The vibrational quantum number dependence of the collisional lifetime in nitric-oxide self-relaxation up to v-= 25
-
Yang XM, Kim EH, Wodtke AM. 1990. The vibrational quantum number dependence of the collisional lifetime in nitric-oxide self-relaxation up to v-= 25. J. Chem. Phys. 93:4483-84
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 4483-4484
-
-
Yang, X.M.1
Kim, E.H.2
Wodtke, A.M.3
-
107
-
-
36449003739
-
Vibrational-energy transfer of very highly vibrationally excited NO
-
Yang XM, Kim EH, Wodtke AM. 1992. Vibrational-energy transfer of very highly vibrationally excited NO. J. Chem. Phys. 96:5111-22
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 5111-5122
-
-
Yang, X.M.1
Kim, E.H.2
Wodtke, A.M.3
-
108
-
-
36449002689
-
State-to-state spin orbit and rotational energy transfer of very highly vibrationally excited nitric oxide
-
Yang XM, Wodtke AM. 1992. State-to-state spin orbit and rotational energy transfer of very highly vibrationally excited nitric oxide. J. Chem. Phys. 96:5123-28
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 5123-5128
-
-
Yang, X.M.1
Wodtke, A.M.2
-
109
-
-
36549098925
-
Efficient state-specific preparation of highly vibrationally excited NO(X 2-)
-
Yang X, Wodtke AM. 1990. Efficient state-specific preparation of highly vibrationally excited NO(X 2-). J. Chem. Phys. 92:116-20
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 116-120
-
-
Yang, X.1
Wodtke, A.M.2
-
110
-
-
4043124824
-
Efficient state-specific preparation of highly vibrationally excited 15N18O
-
Yang XM, McGuire D, Wodtke AM. 1992. Efficient state-specific preparation of highly vibrationally excited 15N18O. J. Mol. Spectrosc. 154:361-71
-
(1992)
J. Mol. Spectrosc.
, vol.154
, pp. 361-371
-
-
Yang, X.M.1
McGuire, D.2
Wodtke, A.M.3
-
111
-
-
0031552895
-
Parity-resolved state-to-state cross sections for inelastic scattering of NO X 2-1/2 (v = 20, J = 0. 5, e/f ) from He: A comparison between crossed molecular beams experiments and ab initio theory
-
Drabbels M, Wodtke AM, Yang M, Alexander MH. 1997. Parity-resolved state-to-state cross sections for inelastic scattering of NO X 2-1/2 (v = 20, J = 0. 5, e/f ) from He: a comparison between crossed molecular beams experiments and ab initio theory. J. Phys. Chem. A 101:6463-74
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 6463-6474
-
-
Drabbels, M.1
Wodtke, A.M.2
Yang, M.3
Alexander, M.H.4
-
112
-
-
84880517718
-
Suppression of spontaneous emission in the optical pumping of molecules: Pump-dump-sweep-probe
-
Bartels N, KrÜger BC, Meyer S, Wodtke AM, Schäfer T. 2013. Suppression of spontaneous emission in the optical pumping of molecules: pump-dump-sweep-probe. J. Phys. Chem. Lett. 4:2367-70
-
(2013)
J. Phys. Chem. Lett.
, vol.4
, pp. 2367-2370
-
-
Bartels, N.1
KrÜger, B.C.2
Meyer, S.3
Wodtke, A.M.4
Schäfer, T.5
-
113
-
-
84860278121
-
Orienting polar molecules without hexapoles: Optical state selection with adiabatic orientation
-
Schäfer T, Bartels N, Hocke N, Yang XM, Wodtke AM. 2012. Orienting polar molecules without hexapoles: optical state selection with adiabatic orientation. Chem. Phys. Lett. 535:1-11
-
(2012)
Chem. Phys. Lett.
, vol.535
, pp. 1-11
-
-
Schäfer, T.1
Bartels, N.2
Hocke, N.3
Yang, X.M.4
Wodtke, A.M.5
-
115
-
-
0038175452
-
Interaction of NO(v = 12) with LiF 001): Evidence for anomalously large vibrational relaxation rates
-
Wodtke AM, Huang YH, Auerbach DJ. 2003. Interaction of NO(v = 12) with LiF(001): evidence for anomalously large vibrational relaxation rates. J. Chem. Phys. 118:8033-41
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8033-8041
-
-
Wodtke, A.M.1
Huang, Y.H.2
Auerbach, D.J.3
-
116
-
-
78650143731
-
Vibrationally promoted electron emission at a metal surface: Electron kinetic energy distributions
-
LaRue J, Schäfer T, Matsiev D, Velarde L, Nahler NH, et al. 2011. Vibrationally promoted electron emission at a metal surface: electron kinetic energy distributions. Phys. Chem. Chem. Phys. 13:97-99
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 97-99
-
-
Larue, J.1
Schäfer, T.2
Matsiev, D.3
Velarde, L.4
Nahler, N.H.5
-
117
-
-
84055181439
-
Electron kinetic energies from vibrationally promoted surface exoemission: Evidence for a vibrational autodetachment mechanism
-
LaRue JL, Schäfer T, Matsiev D, Velarde L, Nahler NH, et al. 2011. Electron kinetic energies from vibrationally promoted surface exoemission: evidence for a vibrational autodetachment mechanism. J. Phys. Chem. A 115:14306-14
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 14306-14314
-
-
Larue, J.L.1
Schäfer, T.2
Matsiev, D.3
Velarde, L.4
Nahler, N.H.5
-
118
-
-
50649095898
-
Inverse velocity dependence of vibrationally promoted electron emission from a metal surface
-
Nahler NH, White JD, LaRue J, Auerbach DJ, Wodtke AM. 2008. Inverse velocity dependence of vibrationally promoted electron emission from a metal surface. Science 321:1191-94
-
(2008)
Science
, vol.321
, pp. 1191-1194
-
-
Nahler, N.H.1
White, J.D.2
Larue, J.3
Auerbach, D.J.4
Wodtke, A.M.5
-
119
-
-
56049124854
-
Dynamics of molecule-induced electron emission from surfaces
-
Nahler NH, Wodtke AM. 2008. Dynamics of molecule-induced electron emission from surfaces. Mol. Phys. 106:2227-44
-
(2008)
Mol. Phys.
, vol.106
, pp. 2227-2244
-
-
Nahler, N.H.1
Wodtke, A.M.2
-
120
-
-
36449007101
-
Molecular dynamics with electronic frictions
-
Head-Gordon M, Tully JC. 1995. Molecular dynamics with electronic frictions. J. Chem. Phys. 103:10137-45
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 10137-10145
-
-
Head-Gordon, M.1
Tully, J.C.2
-
121
-
-
77957566182
-
Role of electronic friction during the scattering of vibrationally excited nitric oxide molecules from Au 111)
-
Monturet S, Saalfrank P. 2010. Role of electronic friction during the scattering of vibrationally excited nitric oxide molecules from Au(111). Phys. Rev. B 82:075404
-
(2010)
Phys. Rev. B
, vol.82
, pp. 075404
-
-
Monturet, S.1
Saalfrank, P.2
-
122
-
-
65549098164
-
Nonadiabatic dynamics at metal surfaces: Independent-electron surface hopping
-
ShenviN, Roy S, Tully JC. 2009. Nonadiabatic dynamics at metal surfaces: independent-electron surface hopping. J. Chem. Phys. 130:174107
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 174107
-
-
Shenvin Roy, S.1
Tully, J.C.2
-
123
-
-
70449441093
-
Dynamical steering and electronic excitation in NO scattering from a gold surface
-
Shenvi N, Roy S, Tully JC. 2009. Dynamical steering and electronic excitation in NO scattering from a gold surface. Science 326:829-32
-
(2009)
Science
, vol.326
, pp. 829-832
-
-
Shenvi, N.1
Roy, S.2
Tully, J.C.3
-
124
-
-
65549090095
-
Model Hamiltonian for the interaction of NO with the Au 111) surface
-
Roy S, Shenvi NA, Tully JC. 2009. Model Hamiltonian for the interaction of NO with the Au(111) surface. J. Chem. Phys. 130:174716
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 174716
-
-
Roy, S.1
Shenvi, N.A.2
Tully, J.C.3
-
125
-
-
84887073669
-
Observation of orientationdependent electron transfer in molecule-surface collisions
-
Bartels N, Golibrzuch K, Bartels C, Chen L, Auerbach DJ, et al. 2013. Observation of orientationdependent electron transfer in molecule-surface collisions. Proc. Natl. Acad. Sci. USA 110:17738-43
-
(2013)
Proc. Natl. Acad. Sci. USA
, vol.110
, pp. 17738-17743
-
-
Bartels, N.1
Golibrzuch, K.2
Bartels, C.3
Chen, L.4
Auerbach, D.J.5
-
126
-
-
84905562979
-
Dynamical steering in an electron transfer surface reaction: Oriented NO(v = 3, 0. 08
-
BartelsN, Golibrzuch K, Bartels C, Chen L, Auerbach DJ, et al. 2014. Dynamical steering in an electron transfer surface reaction: oriented NO(v = 3, 0. 08 eV) relaxation in collisions with a Au(111) surface, J. Chem. Phys., 140, 054710
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 054710
-
-
Bartels, N.1
Golibrzuch, K.2
Bartels, C.3
Chen, L.4
Auerbach, D.J.5
-
127
-
-
84882389279
-
Experimental and theoretical study of multi-quantum vibrational excitation: NO(v = 0 1,2, 3) in collisions with Au(111)
-
Golibrzuch K, Kandratsenka A, Rahinov I, Cooper R, Auerbach DJ, et al. 2013. Experimental and theoretical study of multi-quantum vibrational excitation: NO(v = 0 1, 2, 3) in collisions with Au(111). J. Phys. Chem. A 117:7091-101
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 7091-7101
-
-
Golibrzuch, K.1
Kandratsenka, A.2
Rahinov, I.3
Cooper, R.4
Auerbach, D.J.5
-
128
-
-
84902205549
-
The importance of accurate adiabatic interaction potentials for the correct description of electronically nonadiabatic vibrational energy transfer: A combined experimental and theoretical study of NO(v = 3) collisions with a Au(111) surface
-
Golibrzuch K, Shirhatti PR, Rahinov I, Kandratsenka A, Auerbach DJ, et al. 2014. The importance of accurate adiabatic interaction potentials for the correct description of electronically nonadiabatic vibrational energy transfer: a combined experimental and theoretical study of NO(v = 3) collisions with a Au(111) surface. J. Chem. Phys. 140:044701
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 044701
-
-
Golibrzuch, K.1
Shirhatti, P.R.2
Rahinov, I.3
Kandratsenka, A.4
Auerbach, D.J.5
-
129
-
-
84897044652
-
Incidence energy dependent state-to-state time-of-flight measurements of NO(v = 3) collisions with Au(111): The fate of incidence vibrational and translational energy
-
Golibrzuch K, Shirhatti PR, Rahinov I, Auerbach DJ, Wodtke AM, Bartels C. 2014. Incidence energy dependent state-to-state time-of-flight measurements of NO(v = 3) collisions with Au(111): the fate of incidence vibrational and translational energy. Phys. Chem. Chem. Phys. 16:7602-10
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 7602-7610
-
-
Golibrzuch, K.1
Shirhatti, P.R.2
Rahinov, I.3
Auerbach, D.J.4
Wodtke, A.M.5
Bartels, C.6
-
130
-
-
84884329215
-
State-to-state timeof-flight measurements of NO scattering from Au 111): Direct observation of translation-to-vibration coupling in electronically nonadiabatic energy transfer
-
Golibrzuch K, Shirhatti PR, Altschaffel J, Rahinov I, Auerbach DJ, et al. 2013. State-to-state timeof-flight measurements of NO scattering from Au(111): direct observation of translation-to-vibration coupling in electronically nonadiabatic energy transfer. J. Phys. Chem. A 117:8750-60
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 8750-8760
-
-
Golibrzuch, K.1
Shirhatti, P.R.2
Altschaffel, J.3
Rahinov, I.4
Auerbach, D.J.5
-
131
-
-
84918789270
-
Controlling an electron transfer reaction at a metal surface by manipulating reactant motion and orientation
-
Bartels N, KrÜger BC, Bartels C, Auerbach DJ, Wodtke, AM, Schäfer T. 2014. Controlling an electron transfer reaction at a metal surface by manipulating reactant motion and orientation. Angew. Chem. Int. Ed. Engl. 53:13690-94
-
(2014)
Angew. Chem. Int. Ed. Engl.
, vol.53
, pp. 13690-13694
-
-
Bartels, N.1
KrÜger, B.C.2
Bartels, C.3
Auerbach, D.J.4
Wodtke, A.M.5
Schäfer, T.6
-
132
-
-
0000565569
-
Dissociative sticking of O2 on Al 111)
-
Osterlund L, Zoric I, Kasemo B. 1997. Dissociative sticking of O2 on Al(111). Phys. Rev. B 55:15452-55
-
(1997)
Phys. Rev. B
, vol.55
, pp. 15452-15455
-
-
Osterlund, L.1
Zoric, I.2
Kasemo, B.3
-
133
-
-
3342977930
-
Surface migration of hot adatoms in the course of dissociative chemisorption of oxygen on Al 111)
-
Brune H, Wintterlin J, Behm RJ, Ertl G. 1992. Surface migration of "hot" adatoms in the course of dissociative chemisorption of oxygen on Al(111). Phys. Rev. Lett. 68:624-26
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 624-626
-
-
Brune, H.1
Wintterlin, J.2
Behm, R.J.3
Ertl, G.4
-
134
-
-
36449000650
-
Interaction of oxygen with Al 111) studied by scanning tunneling microscopy
-
Brune H, Wintterlin J, Trost J, Ertl G, Wiechers J, Behm RJ. 1993. Interaction of oxygen with Al(111) studied by scanning tunneling microscopy. J. Chem. Phys. 99:2128-48
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 2128-2148
-
-
Brune, H.1
Wintterlin, J.2
Trost, J.3
Ertl, G.4
Wiechers, J.5
Behm, R.J.6
-
135
-
-
0035842507
-
Oxygen abstraction from dioxygen on the Al 111) surface
-
Komrowski AJ, Sexton JZ, Kummel AC, Binetti M, Weisse O, Hasselbrink E. 2001. Oxygen abstraction from dioxygen on the Al(111) surface. Phys. Rev. Lett. 87:246103
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 246103
-
-
Komrowski, A.J.1
Sexton, J.Z.2
Kummel, A.C.3
Binetti, M.4
Weisse, O.5
Hasselbrink, E.6
-
137
-
-
0035250754
-
Adiabatic potential-energy surface of O2/Al 111): Rare entrance-channel barriers but molecularly chemisorbed state apt for abstraction
-
Yourdshahyan Y, Razaznejad B, Lundqvist BI. 2001. Adiabatic potential-energy surface of O2/Al(111): rare entrance-channel barriers but molecularly chemisorbed state apt for abstraction. Solid State Commun. 117:531-35
-
(2001)
Solid State Commun
, vol.117
, pp. 531-535
-
-
Yourdshahyan, Y.1
Razaznejad, B.2
Lundqvist, B.I.3
-
138
-
-
18144407646
-
Dissociation of O2 at Al 111): The role of spin selection rules
-
Behler J, Delley B, Lorenz S, Reuter K, Scheffler M. 2005. Dissociation of O2 at Al(111): the role of spin selection rules. Phys. Rev. Lett. 94:036104
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 036104
-
-
Behler, J.1
Delley, B.2
Lorenz, S.3
Reuter, K.4
Scheffler, M.5
-
139
-
-
33947241755
-
Nonadiabatic potential-energy surfaces by constrained density-functional theory
-
Behler J, Delley B, Reuter K, Scheffler M. 2007. Nonadiabatic potential-energy surfaces by constrained density-functional theory. Phys. Rev. B 75:115409
-
(2007)
Phys. Rev. B
, vol.75
, pp. 115409
-
-
Behler, J.1
Delley, B.2
Reuter, K.3
Scheffler, M.4
-
140
-
-
77954821901
-
Signatures of nonadiabatic O2 dissociation at Al 111): First-principles fewest-switches study
-
Carbogno C, Behler J, Reuter K, Gross A. 2010. Signatures of nonadiabatic O2 dissociation at Al(111): first-principles fewest-switches study. Phys. Rev. B 81:035410
-
(2010)
Phys. Rev. B
, vol.81
, pp. 035410
-
-
Carbogno, C.1
Behler, J.2
Reuter, K.3
Gross, A.4
-
141
-
-
1642585963
-
Abstractive dissociation of oxygen over Al 111): A nonadiabatic quantum model
-
Katz G, KosloffR, Zeiri Y. 2004. Abstractive dissociation of oxygen over Al(111): a nonadiabatic quantum model. J. Chem. Phys. 120:3931-48
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 3931-3948
-
-
Katz, G.1
Kosloffr Zeiri, Y.2
-
142
-
-
33344465646
-
Trends in sticking and adsorption of diatomic molecules on the Al 111) surface
-
Hellman A, Razaznejad B, Lundqvist BI. 2005. Trends in sticking and adsorption of diatomic molecules on the Al(111) surface. Phys. Rev. B 71:205424
-
(2005)
Phys. Rev. B
, vol.71
, pp. 205424
-
-
Hellman, A.1
Razaznejad, B.2
Lundqvist, B.I.3
-
143
-
-
50849098886
-
Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al 111)
-
Carbogno C, Behler J, Gross A, Reuter K. 2008. Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al(111). Phys. Rev. Lett. 101:096104
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 096104
-
-
Carbogno, C.1
Behler, J.2
Gross, A.3
Reuter, K.4
-
144
-
-
41449117960
-
Nonadiabatic effects in the dissociation of oxygen molecules at the Al 111) surface
-
Behler J, Reuter K, Scheffler M. 2008. Nonadiabatic effects in the dissociation of oxygen molecules at the Al(111) surface. Phys. Rev. B 77:115421
-
(2008)
Phys. Rev. B
, vol.77
, pp. 115421
-
-
Behler, J.1
Reuter, K.2
Scheffler, M.3
-
145
-
-
84869020076
-
Origin of the energy barrier to chemical reactions of O2 on Al(111): Evidence for charge transfer, not spin selection
-
Libisch F, Huang C, Liao PL, Pavone M, Carter EA. 2012. Origin of the energy barrier to chemical reactions of O2 on Al(111): evidence for charge transfer, not spin selection. Phys. Rev. Lett. 109:198303
-
(2012)
Phys. Rev. Lett.
, vol.109
, pp. 198303
-
-
Libisch, F.1
Huang, C.2
Liao, P.L.3
Pavone, M.4
Carter, E.A.5
-
146
-
-
84871218057
-
Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction
-
Abedi A, Maitra NT, Gross EKU. 2012. Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction. J. Chem. Phys. 137:22A530
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 22A530
-
-
Abedi, A.1
Maitra, N.T.2
Gross, E.K.U.3
-
147
-
-
84887662380
-
Adiabatic energy loss in hyperthermalHatom collisions with Cu and Au: A basis for testing the importance of nonadiabatic energy loss
-
Pavanello M, Auerbach DJ, Wodtke AM, Blanco-Rey M, Alducin M, Kroes GJ. 2013. Adiabatic energy loss in hyperthermalHatom collisions with Cu and Au: a basis for testing the importance of nonadiabatic energy loss. J. Phys. Chem. Lett. 4:3735-40
-
(2013)
J. Phys. Chem. Lett.
, vol.4
, pp. 3735-3740
-
-
Pavanello, M.1
Auerbach, D.J.2
Wodtke, A.M.3
Blanco-Rey, M.4
Alducin, M.5
Kroes, G.J.6
-
148
-
-
84903362356
-
Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansions
-
GrÜneis A, Shepherd JJ, Alavi A, Tew DP, Booth GH. 2013. Explicitly correlated plane waves: accelerating convergence in periodic wavefunction expansions. J. Chem. Phys. 139:084112
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 084112
-
-
GrÜneis, A.1
Shepherd, J.J.2
Alavi, A.3
Tew, D.P.4
Booth, G.H.5
-
149
-
-
0001503532
-
Variational calculation of the image potential near a metal surface
-
Appelbaum JA, Hamann DR. 1972. Variational calculation of the image potential near a metal surface. Phys. Rev. B 6:1122-30
-
(1972)
Phys. Rev. B
, vol.6
, pp. 1122-1130
-
-
Appelbaum, J.A.1
Hamann, D.R.2
-
150
-
-
84888625800
-
Toward detection of electron-hole pair excitation in H-atom collisions with Au(111): Adiabatic molecular dynamics with a semi-empirical full-dimensional potential energy surface
-
Janke SM, Pavanello M, Kroes GJ, Auerbach D, Wodtke AM, Kandratsenka A. 2013. Toward detection of electron-hole pair excitation in H-atom collisions with Au(111): adiabatic molecular dynamics with a semi-empirical full-dimensional potential energy surface. Z. Phys. Chem. 227:1467-90
-
(2013)
Z. Phys. Chem.
, vol.227
, pp. 1467-1490
-
-
Janke, S.M.1
Pavanello, M.2
Kroes, G.J.3
Auerbach, D.4
Wodtke, A.M.5
Kandratsenka, A.6
-
151
-
-
0033737606
-
Ab initio multiple spawning: Photochemistry from first principles quantum molecular dynamics
-
Ben-Nun M, Quenneville J, Martńez TJ. 2000. Ab initio multiple spawning: photochemistry from first principles quantum molecular dynamics. J. Phys. Chem. A 104:5161-75
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 5161-5175
-
-
Ben-Nun, M.1
Quenneville, J.2
Martńez, T.J.3
-
152
-
-
84903362637
-
Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface
-
Liu T, Fu B, Zhang DH. 2013. Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface. J. Chem. Phys. 139:184705
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 184705
-
-
Liu, T.1
Fu, B.2
Zhang, D.H.3
-
153
-
-
84899016087
-
Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface
-
Liu T, Fu B, Zhang DH. 2014. Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface. J. Chem. Phys. 140:144701
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 144701
-
-
Liu, T.1
Fu, B.2
Zhang, D.H.3
-
154
-
-
34547292624
-
Observation of a change of vibrational excitation mechanism with surface temperature: HCl collisions with Au 111)
-
Ran Q, Matsiev D, Auerbach DJ, Wodtke AM. 2007. Observation of a change of vibrational excitation mechanism with surface temperature: HCl collisions with Au(111). Phys. Rev. Lett. 98:237601
-
(2007)
Phys. Rev. Lett.
, vol.98
, pp. 237601
-
-
Ran, Q.1
Matsiev, D.2
Auerbach, D.J.3
Wodtke, A.M.4
-
155
-
-
34147165566
-
Direct translation-to-vibrational energy transfer of HCl on gold: Measurement of absolute vibrational excitation probabilities
-
Ran Q, Matsiev D, Auerbach DJ, Wodtke AM. 2007. Direct translation-to-vibrational energy transfer of HCl on gold: measurement of absolute vibrational excitation probabilities. Nucl. Instrum. Methods Phys. Res. B 258:1-6
-
(2007)
Nucl. Instrum. Methods Phys. Res. B
, vol.258
, pp. 1-6
-
-
Ran, Q.1
Matsiev, D.2
Auerbach, D.J.3
Wodtke, A.M.4
-
156
-
-
57349118688
-
Efficient vibrational and translational excitations of a solid metal surface: State-to-state time-of-flight measurements of HCl(v = 2, J = 1) scattering from Au 111)
-
Rahinov I, Cooper R, Yuan C, Yang XM, Auerbach DJ, Wodtke AM. 2008. Efficient vibrational and translational excitations of a solid metal surface: state-to-state time-of-flight measurements of HCl(v = 2, J = 1) scattering from Au(111). J. Chem. Phys. 129:214708
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 214708
-
-
Rahinov, I.1
Cooper, R.2
Yuan, C.3
Yang, X.M.4
Auerbach, D.J.5
Wodtke, A.M.6
-
157
-
-
33644861096
-
Multidimensional effects on dissociation of N2 on Ru 0001)
-
Diaz C, Vincent JK, Krishnamohan GP, Olsen RA, Kroes GJ, et al. 2006. Multidimensional effects on dissociation of N2 on Ru(0001). Phys. Rev. Lett. 96:096102
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 096102
-
-
Diaz, C.1
Vincent, J.K.2
Krishnamohan, G.P.3
Olsen, R.A.4
Kroes, G.J.5
-
158
-
-
8444221247
-
The roaming atom: Straying from the reaction path in formaldehyde decomposition
-
Townsend D, Lahankar SA, Lee SK, Chambreau SD, Suits AG, et al. 2004. The roaming atom: straying from the reaction path in formaldehyde decomposition. Science 306:1158-61
-
(2004)
Science
, vol.306
, pp. 1158-1161
-
-
Townsend, D.1
Lahankar, S.A.2
Lee, S.K.3
Chambreau, S.D.4
Suits, A.G.5
-
159
-
-
30244450536
-
Surface energy and work function of elemental metals
-
Skriver HL, Rosengaard NM. 1992. Surface energy and work function of elemental metals. Phys. Rev. B 46:7157-68
-
(1992)
Phys. Rev. B
, vol.46
, pp. 7157-7168
-
-
Skriver, H.L.1
Rosengaard, N.M.2
-
161
-
-
0009994351
-
Methane temporary negative-ion resonances
-
Botz FK, Glick RE. 1975. Methane temporary negative-ion resonances. Chem. Phys. Lett. 33:279-83
-
(1975)
Chem. Phys. Lett.
, vol.33
, pp. 279-283
-
-
Botz, F.K.1
Glick, R.E.2
-
162
-
-
13444263573
-
Conversion of large-amplitude vibration to electron excitation at a metal surface
-
White JD, Chen J, Matsiev D, Auerbach DJ, Wodtke AM. 2005. Conversion of large-amplitude vibration to electron excitation at a metal surface. Nature 433:503-5
-
(2005)
Nature
, vol.433
, pp. 503-505
-
-
White, J.D.1
Chen, J.2
Matsiev, D.3
Auerbach, D.J.4
Wodtke, A.M.5
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