-
4
-
-
0038425087
-
-
Amercian Ceramic Society, Westerville, OH
-
J.H. Simmons, E.R. Fuller, Jr., A.L. Dragoo, E.J. Garboczi (Eds.), Computational Modeling of Materials and Processing, Amercian Ceramic Society, Westerville, OH, 1997.
-
(1997)
Computational Modeling of Materials and Processing
-
-
Simmons, J.H.1
Fuller E.R., Jr.2
Dragoo, A.L.3
Garboczi, E.J.4
-
9
-
-
0003622719
-
-
Kluwer Academic Publishers, Dordrecht
-
(b) D.E. Ellis (Ed.), Density Functional Theory of Molecules, Clusters, and Solids, Kluwer Academic Publishers, Dordrecht, 1995.
-
(1995)
Density Functional Theory of Molecules, Clusters, and Solids
-
-
Ellis, D.E.1
-
10
-
-
0003278226
-
Computational methods for polyatomic bimolecular reactions
-
D.L. Thompson (Ed.), World Scientific, Singapore
-
(a) G.C. Schatz, M. ter Horst, T. Takayanagi, Computational methods for polyatomic bimolecular reactions, in: D.L. Thompson (Ed.), Modern Methods for Multidimensional Dynamics Computations in Chemistry, World Scientific, Singapore, 1998, p. 1;
-
(1998)
Modern Methods for Multidimensional Dynamics Computations in Chemistry
, pp. 1
-
-
Schatz, G.C.1
Ter Horst, M.2
Takayanagi, T.3
-
11
-
-
0037748745
-
Quantum effects in gas phase bimolecular collision processes: From state-to-state properties to microcanonical averages
-
W.L. Hase (Ed.). JAI Press, Greenwich, CT
-
(b) G.C. Schatz, Quantum effects in gas phase bimolecular collision processes: from state-to-state properties to microcanonical averages, in: W.L. Hase (Ed.), Comparisons of Classical and Quantum Dynamics. Advances in Classical Trajectory Methods, vol. 3, JAI Press, Greenwich, CT, 1998, p. 205;
-
(1998)
Comparisons of Classical and Quantum Dynamics. Advances in Classical Trajectory Methods
, vol.3
, pp. 205
-
-
Schatz, G.C.1
-
12
-
-
0011275467
-
Comparison of classical and quantum statistical mechanical simulations of aqueous ionic clusters
-
W.L. Hase (Ed.). JAI Press, Greenwich, CT
-
(c) G.K. Schenter, B.C. Garrett, H. Gai, L.X. Dang, Comparison of classical and quantum statistical mechanical simulations of aqueous ionic clusters, in: W.L. Hase (Ed.), Advances in Classical Trajectory Methods: Comparisons of Classical and Quantum Dynamics, vol. 3, JAI Press, Greenwich, CT, 1998, p. 156.
-
(1998)
Advances in Classical Trajectory Methods: Comparisons of Classical and Quantum Dynamics
, vol.3
, pp. 156
-
-
Schenter, G.K.1
Garrett, B.C.2
Gai, H.3
Dang, L.X.4
-
13
-
-
3142635567
-
Fitting potential energy surfaces
-
A. Lagana, A. Riganelli (Eds.). Springer, Berlin
-
G.C. Schatz, Fitting potential energy surfaces, in: A. Lagana, A. Riganelli (Eds.), Reaction and Molecular Dynamics, Lecture Notes in Chemistry, vol. 14, Springer, Berlin, 2000, p. 15.
-
(2000)
Reaction and Molecular Dynamics, Lecture Notes in Chemistry
, vol.14
, pp. 15
-
-
Schatz, G.C.1
-
16
-
-
0009717423
-
-
M.I. McCarthy, G.K. Schenter, C.A. Scamehorn, J.B. Nicholas, J. Phys. Chem. 100 (1996) 16989.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16989
-
-
McCarthy, M.I.1
Schenter, G.K.2
Scamehorn, C.A.3
Nicholas, J.B.4
-
17
-
-
0035529353
-
Quantum Monte Carlo simulations of solids
-
W.M.C. Foulkes, L. Mitas, R.J. Needs, G. Rajagopal, Quantum Monte Carlo simulations of solids, Rev. Modern Phys. 73 (2001) 33.
-
(2001)
Rev. Modern Phys.
, vol.73
, pp. 33
-
-
Foulkes, W.M.C.1
Mitas, L.2
Needs, R.J.3
Rajagopal, G.4
-
18
-
-
0000000129
-
-
G. Rajagopal, R.J. Needs, W.M.C. Foulkes, W.M.C. Foulkes, S. Kenny, A. James, Phys. Rev. B51 (1995) 10591.
-
(1995)
Phys. Rev.
, vol.B51
, pp. 10591
-
-
Rajagopal, G.1
Needs, R.J.2
Foulkes, W.M.C.3
Foulkes, W.M.C.4
Kenny, S.5
James, A.6
-
20
-
-
33947320796
-
-
(b) M.L. Allinger, J.A. Hirsch, M.A. Miller, I.J. Tyminski, F.A. Van-Catledge, J. Am. Chem. Soc. 90 (1968) 1199;
-
(1968)
J. Am. Chem. Soc.
, vol.90
, pp. 1199
-
-
Allinger, M.L.1
Hirsch, J.A.2
Miller, M.A.3
Tyminski, I.J.4
Van-Catledge, F.A.5
-
22
-
-
0021757436
-
-
(d) S.J. Weiner, P.A. Kollman, D.A. Case, U.C. Singh, C. Ghio, G. Alagona, S. Profeta, Jr., P. Weiner, J. Am. Chem. Soc. 106 (1984) 765.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 765
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta S., Jr.7
Weiner, P.8
-
23
-
-
0003990679
-
-
North-Holland, Amsterdam
-
G. Ciccotti, D. Frenkel, I.R. McDonald (Eds.), Simulation of Liquids and Solids, North-Holland, Amsterdam, 1987.
-
(1987)
Simulation of Liquids and Solids
-
-
Ciccotti, G.1
Frenkel, D.2
McDonald, I.R.3
-
26
-
-
0001143763
-
-
(a) E.P.G. Areas, P.G. Pascotti, S. Schreier, K.C. Mundim, P.M. Bisch, J. Phys. Chem. 99 (1995) 14882;
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 14882
-
-
Areas, E.P.G.1
Pascotti, P.G.2
Schreier, S.3
Mundim, K.C.4
Bisch, P.M.5
-
28
-
-
5744249209
-
-
(a) N. Metropolis, A.W. Rosenbluth, A.H. Teller, E. Teller, J. Chem. Phys. 21 (1953) 1087;
-
(1953)
J. Chem. Phys.
, vol.21
, pp. 1087
-
-
Metropolis, N.1
Rosenbluth, A.W.2
Teller, A.H.3
Teller, E.4
-
31
-
-
0038372861
-
-
H. Ehrenreich, D. Turnbull, (eds.), Academic Press, New York
-
See Refs [5,6] and J. Callaway, N.H. March, in: H. Ehrenreich, D. Turnbull, (eds.), Solid State Physics, Academic Press, New York, 1984;
-
(1984)
Solid State Physics
-
-
Callaway, J.1
March, N.H.2
-
45
-
-
0000501822
-
-
D.E. Ellis (Ed.), Kluwer Academic Publishers, Dordrecht
-
(d) D.E. Ellis, J. Guo, in: D.E. Ellis (Ed.), Electronic Density Functional Theory of Molecules, Clusters, and Solids, Kluwer Academic Publishers, Dordrecht, 1995, p. 263.
-
(1995)
Electronic Density Functional Theory of Molecules, Clusters, and Solids
, pp. 263
-
-
Ellis, D.E.1
Guo, J.2
-
48
-
-
0038086430
-
-
D.E. Ellis (Ed.), Kluwer Academic, Dordrecht
-
(c) W. Yang, Z. Zhou, in: D.E. Ellis (Ed.), Density Functional Theory of Molecules, Clusters, and Solids, Kluwer Academic, Dordrecht, 1995, p. 177;
-
(1995)
Density Functional Theory of Molecules, Clusters, and Solids
, pp. 177
-
-
Yang, W.1
Zhou, Z.2
-
52
-
-
0001317928
-
-
(b) Q.M. Zhang, G. Chiarotti, A. Sellini, R. Car, M. Parinello, Phys. Rev. B42 (1990) 5071.
-
(1990)
Phys. Rev.
, vol.B42
, pp. 5071
-
-
Zhang, Q.M.1
Chiarotti, G.2
Sellini, A.3
Car, R.4
Parinello, M.5
-
54
-
-
0000925658
-
-
(a) I. Štich, D. Marx, M. Parinello, K. Terakura, Phys. Rev. Lett. 78 (1997) 3669;
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 3669
-
-
Štich, I.1
Marx, D.2
Parinello, M.3
Terakura, K.4
-
55
-
-
0031560371
-
-
(b) I. Štich, D. Marx, M. Parinello, K. Terakura, J. Chem. Phys. 107 (1997) 9482.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 9482
-
-
Štich, I.1
Marx, D.2
Parinello, M.3
Terakura, K.4
-
56
-
-
0000273760
-
-
G. Stapper, M. Bernasconi, N. Nicoloso, M. Parinello, Phys. Rev. B59 (1999) 797.
-
(1999)
Phys. Rev.
, vol.B59
, pp. 797
-
-
Stapper, G.1
Bernasconi, M.2
Nicoloso, N.3
Parinello, M.4
-
68
-
-
0003501177
-
-
Wiley, New York
-
(c) F.A. Cotton, Chemical Applications of Group Theory, 3rd ed, Wiley, New York, 1990, p. 287.
-
(1990)
Chemical Applications of Group Theory, 3rd Ed.
, pp. 287
-
-
Cotton, F.A.1
-
71
-
-
0037748747
-
-
R.J. Allen, M.F. Guest, A.D. Simpson, D.S. Henty, D.A. Nicole (Eds.), Kluwer/Plenum Press, New York
-
G.J. Ackland, D.M. Bird, P.D. Bristowe, M.W. Finnis, M.J. Gillan, V. Heine, P.A. Madden, M.C. Payne, A.P. Sutton, in: R.J. Allen, M.F. Guest, A.D. Simpson, D.S. Henty, D.A. Nicole (Eds.), High Performance Computing, Kluwer/Plenum Press, New York, 1999.
-
(1999)
High Performance Computing
-
-
Ackland, G.J.1
Bird, D.M.2
Bristowe, P.D.3
Finnis, M.W.4
Gillan, M.J.5
Heine, V.6
Madden, P.A.7
Payne, M.C.8
Sutton, A.P.9
-
84
-
-
0029359330
-
-
(b) J. Purton, D.W. Bullett, P.M. Oliver, S.C. Parker, Surf. Sci. 336 (1995) 166.
-
(1995)
Surf. Sci.
, vol.336
, pp. 166
-
-
Purton, J.1
Bullett, D.W.2
Oliver, P.M.3
Parker, S.C.4
-
85
-
-
0000411132
-
-
L. Feng, M.R. Press, S.N. Khanna, P. Jena, Phys. Rev. B39 (1989) 6914.
-
(1989)
Phys. Rev.
, vol.B39
, pp. 6914
-
-
Feng, L.1
Press, M.R.2
Khanna, S.N.3
Jena, P.4
-
86
-
-
0000126846
-
-
H. Cruz, D. Luis, N.E. Capuj, L. Pavesi, J. Appl. Phys. 83 (1998) 7693.
-
(1998)
J. Appl. Phys.
, vol.83
, pp. 7693
-
-
Cruz, H.1
Luis, D.2
Capuj, N.E.3
Pavesi, L.4
-
91
-
-
0001552123
-
-
(b) V.B. Deyirmenjian, V. Heine, M.C. Payne, V. Milman, R.M. Lynden-Bell, M.W. Finnis, Phys. Rev. B52 (1995) 15191;
-
(1995)
Phys. Rev.
, vol.B52
, pp. 15191
-
-
Deyirmenjian, V.B.1
Heine, V.2
Payne, M.C.3
Milman, V.4
Lynden-Bell, R.M.5
Finnis, M.W.6
-
98
-
-
0038763052
-
Electronic structure, cohesion and effective interatomic potentials in small transition metal particles
-
S. Sugano, Y. Nishina, S. Ohnishi (Eds.), Springer, New York
-
(c) D.E. Ellis, H.P. Cheng, Electronic structure, cohesion and effective interatomic potentials in small transition metal particles, in: S. Sugano, Y. Nishina, S. Ohnishi (Eds.), Microclusters, Springer, New York, 1987, p. 63.
-
(1987)
Microclusters
, pp. 63
-
-
Ellis, D.E.1
Cheng, H.P.2
-
99
-
-
0038086433
-
-
V.B. Deyirmenjian, V. Heine, M.C. Payne, V. Milman, M.W. Finnis, Phil. Mag. Lett. 73 (1996) 39.
-
(1996)
Phil. Mag. Lett.
, vol.73
, pp. 39
-
-
Deyirmenjian, V.B.1
Heine, V.2
Payne, M.C.3
Milman, V.4
Finnis, M.W.5
-
103
-
-
33749829439
-
-
T.S. Bush, J.D. Gale, R.A. Catlow, P.D. Battle, J. Mater. Chem. 4 (1994) 831.
-
(1994)
J. Mater. Chem.
, vol.4
, pp. 831
-
-
Bush, T.S.1
Gale, J.D.2
Catlow, R.A.3
Battle, P.D.4
-
106
-
-
0345927893
-
-
G.W. Watson, E.T. Kelsey, N.H. de Leeuw, D.J. Harris, S.C. Parker, J. Chem. Soc. Faraday Trans. 92 (1996) 433.
-
(1996)
J. Chem. Soc. Faraday Trans.
, vol.92
, pp. 433
-
-
Watson, G.W.1
Kelsey, E.T.2
De Leeuw, N.H.3
Harris, D.J.4
Parker, S.C.5
-
107
-
-
0000766937
-
-
M. Wilson, M. Exner, Y.-M. Huang, M.W. Finnis, Phys. Rev. B54 (1996) 15683.
-
(1996)
Phys. Rev.
, vol.B54
, pp. 15683
-
-
Wilson, M.1
Exner, M.2
Huang, Y.-M.3
Finnis, M.W.4
-
109
-
-
0035826014
-
-
(b) N.A. Marks, M.W. Finnis, J.H. Harding, N.C. Pyper, J. Chem. Phys. 114 (2001) 4406.
-
(2001)
J.Chem. Phys.
, vol.114
, pp. 4406
-
-
Marks, N.A.1
Finnis, M.W.2
Harding, J.H.3
Pyper, N.C.4
-
112
-
-
0000956378
-
-
S. Ogata, H. Iyetomi, K. Tsuruta, F. Shimojo, R.K. Kalia, A. Nakano, P. Vashishta, J. Appl. Phys. 86 (1999) 3036.
-
(1999)
J. Appl. Phys.
, vol.86
, pp. 3036
-
-
Ogata, S.1
Iyetomi, H.2
Tsuruta, K.3
Shimojo, F.4
Kalia, R.K.5
Nakano, A.6
Vashishta, P.7
-
113
-
-
0006747517
-
Cluster approach to order-disorder transformations in alloys
-
H. Ehrenreich, D. Turnbull (Eds.)
-
(a) D. deFontaine, in: H. Ehrenreich, D. Turnbull (Eds.), Cluster Approach to Order-Disorder Transformations in Alloys. Solid State Phys. (1994) 33;
-
(1994)
Solid State Phys.
, pp. 33
-
-
DeFontaine, D.1
-
115
-
-
0037748789
-
-
J.H. Simmons, E.R. Fuller, Jr., A.L. Dragoo, E.J. Garboczi (Eds.), Amercian Ceramic Society, Westerville, OH
-
(c) G. Ceder, P.D. Tepesch, A.F. Kohan, G.D. Garbulsky, C. Coley, H.T. Stokes, L.L. Boyer, M.J. Mehl, B.P. Burton, in: J.H. Simmons, E.R. Fuller, Jr., A.L. Dragoo, E.J. Garboczi (Eds.), Computational Modeling of Materials and Processing, Amercian Ceramic Society, Westerville, OH, 1997, p. 115.
-
(1997)
Computational Modeling of Materials and Processing
, pp. 115
-
-
Ceder, G.1
Tepesch, P.D.2
Kohan, A.F.3
Garbulsky, G.D.4
Coley, C.5
Stokes, H.T.6
Boyer, L.L.7
Mehl, M.J.8
Burton, B.P.9
-
117
-
-
0034315831
-
-
D. Fuks, S. Dorfman, E.A. Kotomin, Y.F. Zhukovskii, A.M. Stoneham, Phys. Rev. Lett. 85 (2000) 4333.
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 4333
-
-
Fuks, D.1
Dorfman, S.2
Kotomin, E.A.3
Zhukovskii, Y.F.4
Stoneham, A.M.5
-
119
-
-
84986512474
-
-
(a) B.R. Brooks, R.E. Bruccoleri, B.D. Olafson, D.J. States, S. Swaminathan, M. Karplus, J. Comp. Chem. 4 (1983) 187;
-
(1983)
J. Comp. Chem.
, vol.4
, pp. 187
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
120
-
-
0000224283
-
-
P.R. Schleyer, et al. Wiley, Chichester
-
(b) A.D. Mackerell, Jr., B. Brooks, C.L. Brooks, III, L. Nilsson, B. Roux, Y. Won, M. Karplus, in: P.R. Schleyer, et al. (Eds.), The Encyclopedia of Computational Chemistry, vol. 1, Wiley, Chichester, 1998, p. 271;
-
(1998)
The Encyclopedia of Computational Chemistry
, vol.1
, pp. 271
-
-
Mackerell A.D., Jr.1
Brooks, B.2
Brooks C.L. III3
Nilsson, L.4
Roux, B.5
Won, Y.6
Karplus, M.7
-
121
-
-
82555191121
-
-
R.J. Kalia, P. Vashishta (Eds.), Nova Science Publisher, New York
-
(c) T.L. Windus, M.W. Schmidt, M.S. Gordon, in: R.J. Kalia, P. Vashishta (Eds.), Toward Teraflop Computing and New Grand Challenge Applications, Nova Science Publisher, New York, 1995, p. 189;
-
(1995)
Toward Teraflop Computing and New Grand Challenge Applications
, pp. 189
-
-
Windus, T.L.1
Schmidt, M.W.2
Gordon, M.S.3
-
122
-
-
0035138053
-
-
(d) M.S. Gordon, M.A. Freitag, P. Bandyopadhyay, V. Kairys, J.H. Jensen, W.J. Stevens, J. Phys. Chem. 105 (2001) 293;
-
(2001)
J. Phys. Chem.
, vol.105
, pp. 293
-
-
Gordon, M.S.1
Freitag, M.A.2
Bandyopadhyay, P.3
Kairys, V.4
Jensen, J.H.5
Stevens, W.J.6
-
123
-
-
0038425074
-
-
ACS, Washington, DC
-
(e) J. Gao, M.A. Thompson (Eds.), Combined Quantum Mechanical and Molecular Mechanical Methods ACS Symposium Series, vol. 712, ACS, Washington, DC, 1998;
-
(1998)
Combined Quantum Mechanical and Molecular Mechanical Methods ACS Symposium Series
, vol.712
-
-
Gao, J.1
Thompson, M.A.2
-
125
-
-
0000549504
-
-
A. Pechenik, R.K. Kalia, P. Vashishta (Eds.), Oxford University Press, Oxford
-
(g) D.E. Ellis, K. Mundim, V.P. Dravid, J.W. Rylander, in: A. Pechenik, R.K. Kalia, P. Vashishta (Eds.), Computer Aided Design of High Temperature Materials, Oxford University Press, Oxford, 1999, p. 350.
-
(1999)
Computer Aided Design of High Temperature Materials
, pp. 350
-
-
Ellis, D.E.1
Mundim, K.2
Dravid, V.P.3
Rylander, J.W.4
-
127
-
-
0030379279
-
-
(b) T. Belytschko, Y. Kronganz, D. Organ, M. Fleming, P. Krysl, Comp. Meth. Appl. Mech. Eng. 139 (1996) 3;
-
(1996)
Comp. Meth. Appl. Mech. Eng.
, vol.139
, pp. 3
-
-
Belytschko, T.1
Kronganz, Y.2
Organ, D.3
Fleming, M.4
Krysl, P.5
-
128
-
-
0038086421
-
-
(c) M. Fleming, Y.A. Chu, B. Moran, T. Belytschko, Int. J. Num. Meth. Eng. 40 (1997) 1;
-
(1997)
Int. J. Num. Meth. Eng.
, vol.40
, pp. 1
-
-
Fleming, M.1
Chu, Y.A.2
Moran, B.3
Belytschko, T.4
-
129
-
-
0040522011
-
-
(d) W.K. Liu, S. Hao, T. Belytschko, S.F. Liu, C.T. Chang, Int. J. Num. Meth. Eng. 47 (2000) 1343;
-
(2000)
Int. J. Num. Meth. Eng.
, vol.47
, pp. 1343
-
-
Liu, W.K.1
Hao, S.2
Belytschko, T.3
Liu, S.F.4
Chang, C.T.5
-
131
-
-
0038086426
-
-
organized by Z.X. Guo, M.R. Winstone, Queen Mary University, London, June
-
International Conference on Multiscale Materials Modeling, organized by Z.X. Guo, M.R. Winstone, Queen Mary University, London, June 2002.
-
(2002)
International Conference on Multiscale Materials Modeling
-
-
-
134
-
-
84990672948
-
-
(c) L.Y. Fan, L. Versluis, T. Ziegler, E.J. Baerends, W. Ravenek, Int. J. Quant. Chem. Suppl. 22 (1988) 173.
-
(1988)
Int. J. Quant. Chem. Suppl.
, vol.22
, pp. 173
-
-
Fan, L.Y.1
Versluis, L.2
Ziegler, T.3
Baerends, E.J.4
Ravenek, W.5
-
136
-
-
0038086425
-
-
E. Kaxiras, J. Joannopoulas, P. Vashishta, R. Kalia (Eds.),Materials Theory, Simulations, and Parallel Algorithms, MRS Proceedings, Pittsburgh
-
(b) M.Z. Bazant, E. Kaxiras, in: E. Kaxiras, J. Joannopoulas, P. Vashishta, R. Kalia (Eds.), Materials Theory, Simulations, and Parallel Algorithms, MRS Proceedings, vol. 48, Pittsburgh. Mater. Res. Soc. (1996).;
-
(1996)
Mater. Res. Soc.
, vol.48
-
-
Bazant, M.Z.1
Kaxiras, E.2
-
137
-
-
0035917979
-
-
(c) K.C. Mundim, L.A.C. Malbouisson, S. Dorfman, D. Fuks, J. Van Humbeeck, V. Liubich, J. Molec. Struct. (Theochem.) 539 (2001) 191.
-
(2001)
J. Molec. Struct. (Theochem.)
, vol.539
, pp. 191
-
-
Mundim, K.C.1
Malbouisson, L.A.C.2
Dorfman, S.3
Fuks, D.4
Van Humbeeck, J.5
Liubich, V.6
-
143
-
-
0030906277
-
-
R. Orlando, R. Milini, G. Perego, R. Dovesi, J. Molec. Catal. 119 (1997) 253.
-
(1997)
J. Molec. Catal.
, vol.119
, pp. 253
-
-
Orlando, R.1
Milini, R.2
Perego, G.3
Dovesi, R.4
-
146
-
-
0031555713
-
-
E. Giamello, M.C. Paganini, D.M. Murphy, A.M. Ferrari, G. Pacchioni, J. Phys. Chem. B 101 (1997) 971.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 971
-
-
Giamello, E.1
Paganini, M.C.2
Murphy, D.M.3
Ferrari, A.M.4
Pacchioni, G.5
-
147
-
-
0004789690
-
-
D'Ercole, E. Giamello, C. Pisani, L. Ojamäe, J. Phys. Chem. B 103 (1999) 3872.
-
(1999)
Phys. Chem. B
, vol.103
, pp. 3872
-
-
D'Ercole, E.1
Giamello, C.2
Pisani, L.3
Ojamäe, J.4
-
148
-
-
0031555713
-
-
E. Giamello, M.C. Paganini, D.M. Murphy, A.M. Ferrari, G. Pacchioni, J. Phys. Chem. B 101 (1997) 971.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 971
-
-
Giamello, E.1
Paganini, M.C.2
Murphy, D.M.3
Ferrari, A.M.4
Pacchioni, G.5
-
154
-
-
0001209392
-
-
A.M. Ferrari, S. Huber, H. Knözinger, K.M. Neyman, N. Rösch, J. Phys. Chem. B 102 (1998) 4548.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 4548
-
-
Ferrari, A.M.1
Huber, S.2
Knözinger, H.3
Neyman, K.M.4
Rösch, N.5
-
156
-
-
0038425076
-
-
unpublished
-
P. Liu, T. Kendelewicz, E. Nelson, G.A. Parks, G.E. Brown Jr., SSRL Activity Report 1997, unpublished.
-
(1997)
SSRL Activity Report
-
-
Liu, P.1
Kendelewicz, T.2
Nelson, E.3
Parks, G.A.4
Brown G.E., Jr.5
-
162
-
-
0001418171
-
-
(f) K. Refson, R.A. Wogelius, D.G. Fraser, M.C. Payne, M.H. Lee, V. Milman, Phys. Rev. B52 (1995) 10823.
-
(1995)
Phys. Rev.
, vol.B52
, pp. 10823
-
-
Refson, K.1
Wogelius, R.A.2
Fraser, D.G.3
Payne, M.C.4
Lee, M.H.5
Milman, V.6
-
163
-
-
0035948107
-
-
S. Abbet, U. Heiz, H. Häkkine, U. Landman, Phys. Rev. Lett. 86 (2001) 5950.
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 5950
-
-
Abbet, S.1
Heiz, U.2
Häkkine, H.3
Landman, U.4
-
164
-
-
18744429621
-
-
J.N. O'Shea, J. Schnadt, S. Andersson, L. Patthey, S. Rost, A. Giertz, B. Brena, J.O. Forsell, A. Sandell, O. Bjorneholm, P.A. Brüwiler, N. Martensson, J. Chem. Phys. 113 (2000) 9233.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9233
-
-
O'Shea, J.N.1
Schnadt, J.2
Andersson, S.3
Patthey, L.4
Rost, S.5
Giertz, A.6
Brena, B.7
Forsell, J.O.8
Sandell, A.9
Bjorneholm, O.10
Brüwiler, P.A.11
Martensson, N.12
-
165
-
-
0034321114
-
-
A.M. Ferrari, L. Giordano, N. Rösch, U. Heiz, S. Abbet, A. Sanchez, G. Pacchioni, J. Phys. Chem. B 104 (2000) 10612.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 10612
-
-
Ferrari, A.M.1
Giordano, L.2
Rösch, N.3
Heiz, U.4
Abbet, S.5
Sanchez, A.6
Pacchioni, G.7
-
166
-
-
17144454947
-
-
R. Yamauchi, I. Gunji, A. Endou, X. Yin, M. Kubo, A. Chatterjeee, A. Miyamoto, Appl. Surf. Sci. 130-132 (1998) 572.
-
(1998)
Appl. Surf. Sci.
, vol.130-132
, pp. 572
-
-
Yamauchi, R.1
Gunji, I.2
Endou, A.3
Yin, X.4
Kubo, M.5
Chatterjeee, A.6
Miyamoto, A.7
-
167
-
-
0035948107
-
-
S. Abbet, U. Heiz, H. Häkkine, U. Landman, Phys. Rev. Lett. 86 (2001) 5950.
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 5950
-
-
Abbet, S.1
Heiz, U.2
Häkkine, H.3
Landman, U.4
-
171
-
-
0001139231
-
-
W. Wulfhekel, B. Heinrich, M. Klaua, T. Monchesky, F. Zavaliche, R. Urban, J. Kirschner, Appl. Phys. Lett. 78 (2001) 509.
-
(2001)
Appl. Phys. Lett.
, vol.78
, pp. 509
-
-
Wulfhekel, W.1
Heinrich, B.2
Klaua, M.3
Monchesky, T.4
Zavaliche, F.5
Urban, R.6
Kirschner, J.7
-
172
-
-
39249083790
-
-
H.L. Meyerheim, R. Popsecu, J. Kirschner, N. Jedrecy, M. Sauvage-Simkin, B. Heinrich, R. Pinchaux, Phys. Rev. Lett. 87 (2001) 076102.
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 076102
-
-
Meyerheim, H.L.1
Popsecu, R.2
Kirschner, J.3
Jedrecy, N.4
Sauvage-Simkin, M.5
Heinrich, B.6
Pinchaux, R.7
-
173
-
-
0035133371
-
-
W.H. Butler, X.-G. Zhang, T.C. Schultheiss, J.M. MacLaren, Phys. Rev. B63 (2001) 054416.
-
(2001)
Phys. Rev.
, vol.B63
, pp. 054416
-
-
Butler, W.H.1
Zhang, X.-G.2
Schultheiss, T.C.3
MacLaren, J.M.4
-
174
-
-
0034315831
-
-
D. Fuks, S. Dorfman, E.A. Kotomin, Y. F. Zhukovskii, A.M. Stoneham, Phys. Rev. Lett. 85 (2000) 4333.
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 4333
-
-
Fuks, D.1
Dorfman, S.2
Kotomin, E.A.3
Zhukovskii, Y.F.4
Stoneham, A.M.5
-
175
-
-
0033873565
-
-
R. Baxter, P. Reinhardt, N. López, F. Illas, Surf. Sci. 445 (2000) 448.
-
(2000)
Surf. Sci.
, vol.445
, pp. 448
-
-
Baxter, R.1
Reinhardt, P.2
López, N.3
Illas, F.4
-
179
-
-
2742609108
-
-
(This entire issue is devoted to metal oxide surfaces, with extensive theoretical and experimental analyses)
-
I. Batyrev, A. Alavi, M.W. Finnis, Faraday Discuss. 114 (1999) 33 (This entire issue is devoted to metal oxide surfaces, with extensive theoretical and experimental analyses).
-
(1999)
Faraday Discuss.
, pp. 33
-
-
Batyrev, I.1
Alavi, A.2
Finnis, M.W.3
-
180
-
-
0033626114
-
-
(a) K.C. Hass, W.F. Schneider, A. Curioni, W. Andreoni, J. Phys. Chem. B 102 (2000) 5527;
-
(2000)
J. Phys. Chem. B
, vol.102
, pp. 527
-
-
Hass, K.C.1
Schneider, W.F.2
Curioni, A.3
Andreoni, W.4
-
181
-
-
0032500725
-
-
(b) K.C. Hass, W.F. Schneider, A. Curioni, W. Andreoni, Science 282 (1998) 265.
-
(1998)
Science
, vol.282
, pp. 265
-
-
Hass, K.C.1
Schneider, W.F.2
Curioni, A.3
Andreoni, W.4
-
184
-
-
0035916198
-
-
R.M. Ferullo, M.M. Branda, G.R. Garda, N.J. Castellani, J. Molec. Catal. A-Chem. 167 (2001) 115.
-
(2001)
J. Molec. Catal. A-Chem.
, vol.167
, pp. 115
-
-
Ferullo, R.M.1
Branda, M.M.2
Garda, G.R.3
Castellani, N.J.4
-
186
-
-
0038086429
-
-
D.A. De Vito, F. Gilardoni, L. Kiwi-Minsker, P.Y. Morgantani, S. Porchet, A. Renken, J. Weber, J. Molec. Struct. Theochem. 469 (1999) 71.
-
(1999)
J. Molec. Struct. Theochem.
, vol.469
, pp. 71
-
-
De Vito, D.A.1
Gilardoni, F.2
Kiwi-Minsker, L.3
Morgantani, P.Y.4
Porchet, S.5
Renken, A.6
Weber, J.7
-
187
-
-
0037088233
-
-
(a) J.R.B. Gomes, F. Illas, N.C. Hernandez, A. Marquez, J.F. Sanz, Phys. Rev. B65 (2002) 125414;
-
(2002)
Phys. Rev.
, vol.B65
, pp. 125414
-
-
Gomes, J.R.B.1
Illas, F.2
Hernandez, N.C.3
Marquez, A.4
Sanz, J.F.5
-
188
-
-
0037154413
-
-
(b) J.R.B. Gomes, F. Illas, N.C. Hernandez, J.F. Sanz, A. Wander, N.M. Harrison, J. Chem. Phys. 116 (2002) 1684.
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 1684
-
-
Gomes, J.R.B.1
Illas, F.2
Hernandez, N.C.3
Sanz, J.F.4
Wander, A.5
Harrison, N.M.6
-
189
-
-
0001245989
-
-
I.G. Batirev, A. Alavi, M.W. Finnis, T. Deutsch, Phys. Rev. Lett. 82 (1999) 1510.
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 1510
-
-
Batirev, I.G.1
Alavi, A.2
Finnis, M.W.3
Deutsch, T.4
-
190
-
-
0343911797
-
-
R. Bennett, P. Stone, N. Price, M. Bowker, Phys. Rev. Lett. 82 (1999) 3831.
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 3831
-
-
Bennett, R.1
Stone, P.2
Price, N.3
Bowker, M.4
-
192
-
-
0030244038
-
-
P.J.D. Lindan, N.M. Harrison, J. Holender, M.J. Gillan, M.C. Payne, Surf. Sci. 364 (1996) 431.
-
(1996)
Surf. Sci.
, vol.364
, pp. 431
-
-
Lindan, P.J.D.1
Harrison, N.M.2
Holender, J.3
Gillan, M.J.4
Payne, M.C.5
-
194
-
-
0001141299
-
-
P.J.D. Lindan, N.M. Harrison, J.A. White, M.J. Gillan, Phys. Rev. B55 (1997) 15919.
-
(1997)
Phys. Rev.
, vol.B55
, pp. 15919
-
-
Lindan, P.J.D.1
Harrison, N.M.2
White, J.A.3
Gillan, M.J.4
-
195
-
-
0033359941
-
-
M. Li, W. Hebenstreit, L. Gross, U. Diebold, M.A. Henderson, D.R. Jennison, P.A. Schultz, M.P. Sears, Surf. Sci. 437 (1999) 173.
-
(1999)
Surf. Sci.
, vol.437
, pp. 173
-
-
Li, M.1
Hebenstreit, W.2
Gross, L.3
Diebold, U.4
Henderson, M.A.5
Jennison, D.R.6
Schultz, P.A.7
Sears, M.P.8
-
198
-
-
0037140034
-
-
V. Swamy, J. Muscat, J.D. Gale, N.M. Harrison, Surf. Sci. 504 (2002) 115.
-
(2002)
Surf. Sci.
, vol.504
, pp. 115
-
-
Swamy, V.1
Muscat, J.2
Gale, J.D.3
Harrison, N.M.4
-
199
-
-
0030736749
-
-
G. Charlton, P.B. Howes, C.L. Nicklin, P. Steadman, J.S.G. Taylor, C.A. Muryn, S.P. Harte, J. Mercer, R. McGrath, D. Norman, T.S. Turner, G. Thornton, Phys. Rev. Lett. 78 (1997) 495.
-
(1997)
Phys. Rev. Lett.
, vol.78
, pp. 495
-
-
Charlton, G.1
Howes, P.B.2
Nicklin, C.L.3
Steadman, P.4
Taylor, J.S.G.5
Muryn, C.A.6
Harte, S.P.7
Mercer, J.8
McGrath, R.9
Norman, D.10
Turner, T.S.11
Thornton, G.12
-
203
-
-
0000946737
-
-
D. Vogtenhuber, R. Podloucky, A. Neckel, S.G. Stenneman, A.J. Freeman, Phys. Rev. B49 (1994) 2099.
-
(1994)
Phys. Rev.
, vol.B49
, pp. 2099
-
-
Vogtenhuber, D.1
Podloucky, R.2
Neckel, A.3
Stenneman, S.G.4
Freeman, A.J.5
-
207
-
-
0000594204
-
-
F. Rittner, R. Fink, B. Boddenberg, V. Staemmler, Phys. Rev. B57 (1998) 4160.
-
(1998)
Phys. Rev.
, vol.B57
, pp. 4160
-
-
Rittner, F.1
Fink, R.2
Boddenberg, B.3
Staemmler, V.4
-
208
-
-
0037080806
-
-
T. Albaret, F. Finocchi, C. Noguera, A. De Vita, Phys. Rev. B65 (2002) 035402.
-
(2002)
Phys. Rev.
, vol.B65
, pp. 035402
-
-
Albaret, T.1
Finocchi, F.2
Noguera, C.3
De Vita, A.4
-
209
-
-
0030592403
-
-
P.J.D. Lindan, N.M. Harrison, J. Holender, M.J. Gillan, Chem. Phys. Lett. 261 (1996) 246.
-
(1996)
Chem. Phys. Lett.
, vol.261
, pp. 246
-
-
Lindan, P.J.D.1
Harrison, N.M.2
Holender, J.3
Gillan, M.J.4
-
214
-
-
0033357326
-
-
P. Stone, R. Bennett, S. Poulston, M. Bowker, Surf. Sci. 433-5 (1999) 501.
-
(1999)
Surf. Sci.
, vol.433-435
, pp. 501
-
-
Stone, P.1
Bennett, R.2
Poulston, S.3
Bowker, M.4
-
215
-
-
0034477654
-
-
U. Diebold, M. Li, O. Dulub, E.L.D. Hebenstreit, W. Hebenstreit, Surf. Rev. Lett. 7 (2000) 613.
-
(2000)
Surf. Rev. Lett.
, vol.7
, pp. 613
-
-
Diebold, U.1
Li, M.2
Dulub, O.3
Hebenstreit, E.L.D.4
Hebenstreit, W.5
-
217
-
-
0642327049
-
-
N.N. Lathiotakis, A.N. Andriotis, M. Menon, J. Connolly, J. Chem. Phys. 104 (1996) 992.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 992
-
-
Lathiotakis, N.N.1
Andriotis, A.N.2
Menon, M.3
Connolly, J.4
-
218
-
-
0038763026
-
-
12846
-
E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, G. Borstel, Surf. Sci. Article 12846 (2002) xxx.
-
(2002)
Surf. Sci. Article
-
-
Heifets, E.1
Eglitis, R.I.2
Kotomin, E.A.3
Maier, J.4
Borstel, G.5
-
219
-
-
0013016745
-
-
E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, G. Borstel, Phys. Rev. B64 (2001) 23417.
-
(2001)
Phys. Rev.
, vol.B64
, pp. 23417
-
-
Heifets, E.1
Eglitis, R.I.2
Kotomin, E.A.3
Maier, J.4
Borstel, G.5
-
221
-
-
0035840971
-
-
(a) A. Kazimirov, D.M. Goodner, M.J. Bedzyk, J. Bai, C.R. Hubbard, Surf. Sci. 492 (2001) L711;
-
(2001)
Surf. Sci.
, vol.492
-
-
Kazimirov, A.1
Goodner, D.M.2
Bedzyk, M.J.3
Bai, J.4
Hubbard, C.R.5
-
222
-
-
0034321026
-
-
(b) G. Koster, G. Rijnders, D.H.A. Blank, H. Rogalla, Physica C 339 (2000) 215;
-
(2000)
Physica C
, vol.339
, pp. 215
-
-
Koster, G.1
Rijnders, G.2
Blank, D.H.A.3
Rogalla, H.4
-
223
-
-
0033807327
-
-
(c) M.S.M. Gonzalez, M.H. Aguirre, E. Moran, M.A. Alario-Franco, V. Perez-Dieste, J. Avila, M.C. Asensio, Solid State Sci. 2 (2000) 519;
-
(2000)
Solid State Sci.
, vol.2
, pp. 519
-
-
Gonzalez, M.S.M.1
Aguirre, M.H.2
Moran, E.3
Alario-Franco, M.A.4
Perez-Dieste, V.5
Avila, J.6
Asensio, M.C.7
-
224
-
-
0042093416
-
-
(d) B. Stauble Pumpin, B. Ilge, V.C. Matijasevic, P.M.L.O. Scholte, A.J. Steinfort, F. Tuinstra, Surf. Sci. 369 (1996) 313.
-
(1996)
Surf. Sci.
, vol.369
, pp. 313
-
-
Stauble Pumpin, B.1
Ilge, B.2
Matijasevic, V.C.3
Scholte, P.M.L.O.4
Steinfort, A.J.5
Tuinstra, F.6
-
227
-
-
0000109188
-
-
S. Kimura, J. Yamaguchi, M. Tsukada, S. Watanabe, Phys. Rev. B51 (1995) 11049.
-
(1995)
Phys. Rev.
, vol.B51
, pp. 11049
-
-
Kimura, S.1
Yamaguchi, J.2
Tsukada, M.3
Watanabe, S.4
-
230
-
-
0035803189
-
-
(a) E.A. Kotomin, R.I. Eglitis, J. Maier, E. Heifets, Thin Solid Films 400 (2001) 76;
-
(2001)
Thin Solid Films
, vol.400
, pp. 76
-
-
Kotomin, E.A.1
Eglitis, R.I.2
Maier, J.3
Heifets, E.4
-
231
-
-
0035893606
-
-
(b) E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, G. Borstel, Phys. Rev. B64 (2001) 235417.
-
(2001)
Phys. Rev.
, vol.B64
, pp. 235417
-
-
Heifets, E.1
Eglitis, R.I.2
Kotomin, E.A.3
Maier, J.4
Borstel, G.5
-
232
-
-
0037026574
-
-
N. Erdman, K.R. Poeppelmeier, M. Asta, O. Warschkow, D.E. Ellis, L.D. Marks, Nature 419 (2002) 55.
-
(2002)
Nature
, vol.419
, pp. 55
-
-
Erdman, N.1
Poeppelmeier, K.R.2
Asta, M.3
Warschkow, O.4
Ellis, D.E.5
Marks, L.D.6
-
236
-
-
0038425021
-
-
Krakow, Poland
-
J. Torres, R. Viteri, A. Stashans, Abstract only:20th European Conference of Surface Science, Krakow, Poland, 2001.
-
(2001)
Abstract Only: 20th European Conference of Surface Science
-
-
Torres, J.1
Viteri, R.2
Stashans, A.3
-
237
-
-
0038086388
-
-
A. Stashans, F. Erozo, J. Ortiz, P. Valverde, Philos. Mag. B. 81 (1977) 2001.
-
(1977)
Philos. Mag. B
, vol.81
, pp. 2001
-
-
Stashans, A.1
Erozo, F.2
Ortiz, J.3
Valverde, P.4
-
243
-
-
0038763022
-
-
Motorola Inc., Unpublished presentations
-
A. Demkov, J. Ramdani, Motorola Inc., Unpublished presentations, 2002.
-
(2002)
-
-
Demkov, A.1
Ramdani, J.2
-
246
-
-
0031508908
-
-
E.C. Dickey, V.P. Dravid, P.D. Nellis, D.J. Wallis, S.J. Pennycook, A. Revcolevschi, Microsc. Microanal. 3 (1997) 443.
-
(1997)
Microsc. Microanal.
, vol.3
, pp. 443
-
-
Dickey, E.C.1
Dravid, V.P.2
Nellis, P.D.3
Wallis, D.J.4
Pennycook, S.J.5
Revcolevschi, A.6
-
248
-
-
0035526615
-
-
(a) C.-X. Guo, O. Warschkow, D.E. Ellis, V.P. Dravid, E.C. Dickey, J. Am. Ceram, Soc. 84 (2001) 2677;
-
(2001)
J. Am. Ceram, Soc.
, vol.84
, pp. 2677
-
-
Guo, C.-X.1
Warschkow, O.2
Ellis, D.E.3
Dravid, V.P.4
Dickey, E.C.5
|