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Surface Science

Volumn 479, Issue 1-3, 2001, Pages 169-182

Density functional model cluster study of adsorption of acetylene on magnesium oxide

(4) Cai, Shuhui a Neyman, Konstantin M a Knözinger, Helmut b Rösch, Notker a

a TECHNICAL UNIVERSITY OF MUNICH (Germany)

b UNIVERSITY OF MUNICH (Germany)

Author keywords

Alkynes; Chemisorption; Density functional calculations; Magnesium oxides; Vibrations of adsorbed molecules

Indexed keywords

ADSORPTION; CHEMICAL BONDS; CHEMISORPTION; MAGNESIA; MOLECULAR VIBRATIONS; POLARIZATION; POLYCRYSTALLINE MATERIALS; POTENTIAL ENERGY;

DENSITY FUNCTIONAL THEORY (DFT);

ACETYLENE;

EID: 0035918450 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(01)00974-8 Document Type: Article

Times cited : (6)

References (56)

1
- 0000424440
- G. Ertl, H. Knözinger, J. Weitkamp (Eds.), Wiley-VCH, Weinheim
- (1997) Handbook of Heterogeneous Catalysis , vol.2 , pp. 707
- Knözinger, H.¹

2
- 33748601193
- and references therein
- (1998) J. Chem. Soc., Faraday Trans. , vol.94 , pp. 2047
- Knözinger, H.¹ Huber, S.²

3
- 0033529120
- (1999) J. Mol. Catal. A: Chemical , vol.141 , pp. 117
- Huber, S.¹ Knözinger, H.²

4
- 0001434574
- (1994) Mol. Phys. , vol.81 , pp. 1259
- Coulomb, J.P.¹ Larher, Y.² Trabelsi, M.³ Mirebeau, I.⁴

5
- 0029752367
- (1996) Surf. Sci. , vol.345
- Ferry, D.¹ Suzanne, J.²

6
- 0031122924
- (1997) Surf. Sci. , vol.375 , pp. 315
- Ferry, D.¹ Suzanne, J.² Hoang, P.N.M.³ Girardet, C.⁴

7
- 0031548138
- (1997) Phys. Rev. Lett. , vol.78 , pp. 4237
- Ferry, D.¹ Hoang, P.N.M.² Suzanne, J.³ Bibérian, J.-P.⁴ Van Hove, M.A.⁵

8
- 0032395084
- (1998) Surf. Rev. Lett. , vol.5 , pp. 353
- Ferry, D.¹ Suzanne, J.² Hoang, P.N.M.³ Girardet, C.⁴

9
- 0000085610
- (1996) Chem. Rev. , vol.96 , pp. 1413
- Barteau, M.A.¹

10
- 0001740328
- (1992) Catal. Lett. , vol.12 , pp. 245
- Peng, X.D.¹ Barteau, M.A.²

11
- 0032517346
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 10471
- Nicholas, J.B.¹ Kheir, A.A.² Xu, T.³ Krawietz, T.R.⁴ Haw, J.F.⁵

12
- 0043047961
- (1997) Surf. Sci. , vol.374 , pp. 117
- Allouche, A.¹

13
- 0003631340
- Plenum Press, New York
- (1992) Cluster Models for Surface and Bulk Phenomena, NATO ASI Series B , vol.283
- Pacchioni, G.¹ Bagus, P.S.² Parmigiani, F.³

14
- 0348060522
- (1994) Chem. Rev. , vol.94 , pp. 2095
- Sauer, J.¹ Ugliengo, P.² Garrone, E.³ Saunders, V.R.⁴

15
- 77956708354
- J. Seminario (Ed.), Elsevier, Amsterdam
- (1996) Recent Development and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry , vol.4 , pp. 569
- Neyman, K.M.¹ Pacchioni, G.² Rösch, N.³

16
- 0003652232
- Kluwer, Dordrecht, The Netherlands
- (1997) Chemisorption and Reactivity on Supported Clusters and Thin Films. Towards an Understanding of Microscopic Processes in Catalysis, NATO ASI Series E , vol.331
- Lambert, R.M.¹ Pacchioni, G.²

17
- 0004778899
- (1997) J. Comp. Chem. , vol.18 , pp. 617
- Pacchioni, G.¹ Ferrari, A.M.² Marquez, A.M.³ Illas, F.⁴

18
- 0033213178
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 4655
- Ferrari, A.M.¹ Xiao, C.² Neyman, K.M.³ Pacchioni, G.⁴ Rösch, N.⁵

19
- 36549094370
- (1988) J. Chem. Phys. , vol.89 , pp. 446
- Winter, N.W.¹ Pitzer, R.M.²

20
- 0006633404
- (1994) J. Chem. Phys. , vol.100 , pp. 2010
- Nygren, M.A.¹ Pettersson, L.G.M.² Barandiaran, Z.³ Seijo, L.⁴

21
- 0001391937
- (1997) Int. J. Quant. Chem. , vol.65 , pp. 975
- Yudanov, I.V.¹ Nasluzov, V.A.² Neyman, K.M.³ Rösch, N.⁴

22
- 36149047330
- (1985) J. Phys. B , vol.18 , pp. 1287
- Fuentealba, P.¹ Szentpaly, L.V.² Preuss, H.³ Stoll, H.⁴

23
- 0034516403
- (2000) J. Phys. Chem. B , vol.104 , pp. 11506
- Cai, S.¹ Neyman, K.M.² Hu, A.³ Rösch, N.⁴

24
- 0000974024
- (1990) Adv. Quant. Chem. , vol.21 , pp. 317
- Dunlap, B.I.¹ Rösch, N.²

25
- 77956656833
- J. Seminario (Ed.), Elsevier, Amsterdam
- (1996) Recent Development and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry , vol.4 , pp. 497
- Rösch, N.¹ Krüger, S.² Mayer, M.³ Nasluzov, V.A.⁴

26
- 0004088376
- Technische Universität München
- (1999) ParaGauss 2.1
- Belling, T.¹ Grauschopf, T.² Krüger, S.³ Nörtemann, F.⁴ Staufer, M.⁵ Mayer, M.⁶ Nasluzov, V.A.⁷ Birkenheuer, U.⁸ Hu, A.⁹ Matveev, A.V.¹⁰ Rösch, N.¹¹

27
- 0000974619
- H.-J. Bungartz, F. Durst, C. Zenger (Eds.), High Performance Scientific and Engineering Computing, Proceedings of the First International FORTWIHR Conference, Munich, Springer, Heidelberg
- (1998) Lecture Notes in Computational Science and Engineering , vol.8 , pp. 439
- Belling, T.¹ Grauschopf, T.² Krüger, S.³ Mayer, M.⁴ Nörtemann, F.⁵ Staufer, M.⁶ Zenger, C.⁷ Rösch, N.⁸

28
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

29
- 0001257707
- (1986) Phys. Rev. B , vol.33 , pp. 8622
- Perdew, J.P.¹

30
- 4043083704
- (1986) Phys. Rev. B , vol.34 , pp. 7406
- Perdew, J.P.¹

31
- 0001042824
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 4391
- Sim, F.¹ St-Amant, A.² Papai, I.³ Salahub, D.R.⁴

32
- 33749426657
- (1994) J. Phys. Chem. , vol.98 , pp. 1121
- Oie, T.¹ Topol, I.A.² Burt, S.K.³

33
- 0001617647
- (1997) J. Mol. Struct. (Theochem) , vol.417 , pp. 227
- Civalleri, B.¹ Garrone, E.² Ugliengo, P.³

34
- 0000746816
- (1996) J. Chem. Phys. , vol.105 , pp. 4129
- Ferrari, A.M.¹ Ugliengo, P.² Garrone, E.³

35
- 4243476736
- (1995) Chem. Phys. Lett. , vol.233 , pp. 134
- Pérez-Jordá, J.M.¹ Becke, A.D.²

36
- 0001308267
- J. Brown, P. Hofmann (Eds.), Springer, Heidelberg
- (1999) Topics in Organometallic Chemistry , vol.4 , pp. 109
- Görling, A.¹ Trickey, S.B.² Gisdakis, P.³ Rösch, N.⁴

37
- 0343624517
- (1995) Chem. Phys. Lett. , vol.246 , pp. 546
- Neyman, K.M.¹ Ruzankin, S.Ph.² Rösch, N.³

38
- 0000104154
- (1999) Chem. Phys. Lett. , vol.306 , pp. 202
- Illas, F.¹ Pacchioni, G.² Pelmenschikov, A.³ Pettersson, L.G.M.⁴ Dovesi, R.⁵ Pisani, C.⁶ Neyman, K.M.⁷ Rösch, N.⁸

39
- 0001209392
- (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

40
- 0000261519
- (1999) Chem. Phys. Lett. , vol.299 , pp. 603
- Matveev, A.V.¹ Neyman, K.M.² Pacchioni, G.³ Rösch, N.⁴

41
- 0141817008
- (1997) Nuovo Cimento D , vol.19 , pp. 1743
- Neyman, K.M.¹ Vent, S.² Pacchioni, G.³ Rösch, N.⁴

42
- 0031590112
- (1997) Chem. Phys. Lett. , vol.275 , pp. 245
- Yudanov, I.V.¹ Vent, S.² Neyman, K.M.³ Pacchioni, G.⁴ Rösch, N.⁵

43
- 0033469338
- (1999) Topics Catal. , vol.9 , pp. 153
- Neyman, K.M.¹ Vent, S.² Rösch, N.³ Pacchioni, G.⁴

44
- 0032665675
- (1999) Surf. Sci. , vol.426 , pp. 123
- Matveev, A.V.¹ Neyman, K.M.² Yudanov, I.V.³ Rösch, N.⁴

45
- 0001415366
- (1999) J. Phys. Chem. B , vol.103 , pp. 7920
- Vayssilov, G.N.¹ Staufer, M.² Belling, T.³ Neyman, K.M.⁴ Knözinger, H.⁵ Rösch, N.⁶

46
- 0033603211
- (1999) J. Mol. Struct. (Theochem) , vol.466 , pp. 235
- Nasluzov, V.A.¹ Shor, A.M.² Yudanov, I.V.³ Nörtemann, F.⁴ Staufer, M.⁵ Rösch, N.⁶

47
- 0030489377
- (1996) Chem. Phys. , vol.210 , pp. 413
- Nasluzov, V.A.¹ Rösch, N.²

48
- 0004033098
- Interscience Publisher, New York
- (1965) Crystal Structures, second ed.
- Wyckoff, R.W.G.¹

49
- 84890021933
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

50
- 0003588966
- Van Nostrand Reinhold, New York
- (1945) Molecular Spectra and Molecular Structure: II. Infrared and Raman Spectra of Polyatomic Molecules
- Herzberg, G.¹

51
- 0000312095
- (1980) Can. J. Phys. , vol.58 , pp. 912
- Kostyk, E.¹ Welsh, H.L.²

52
- 0027702473
- (1993) Surf. Sci. , vol.297 , pp. 223
- Neyman, K.M.¹ Rösch, N.²

53
- 0002531723
- (1983) Russ. Chem. Rev. , vol.52 , pp. 42
- Paukshtis, E.A.¹ Yurchenko, E.N.²

54
- 0004789695
- in press
- Catal. Today
- Mordenti, D.¹ Grotz, P.² Knözinger, H.³

55
- 0000567185
- (1999) J. Chem. Phys. , vol.110 , pp. 4873
- Lopez, N.¹ Illas, F.² Rösch, N.³ Pacchioni, G.⁴

56
- 0003838469
- Wiley-VCH, Weinheim
- (2000) A Chemist's Guide to Density Functional Theory
- Koch, W.¹ Holthausen, M.C.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.