SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 117, Issue 7, 2002, Pages 3208-3218

Characterization of copper clusters through the use of density functional theory reactivity descriptors

(2) Jaque, Pablo a Toro Labbé, Alejandro a

a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMICAL REACTIONS; COMPUTATIONAL METHODS; ELECTRONIC PROPERTIES; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; STATISTICAL MECHANICS;

CHEMICAL POTENTIAL; CHEMICAL REACTIVITY; COPPER CLUSTERS; DENSITY FUNCTIONAL THEORY REACTIVITY DESCRIPTORS; ELECTROPHILICITY; PRINCIPLE OF MAXIMUM HARDNESS;

COPPER;

EID: 0037103721 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1493178 Document Type: Article

Times cited : (207)

References (85)

1
- 0142057634
- (1986) Chem. Rev. , vol.86 , pp. 1049
- Morse, M.D.¹

2
- 3142763500
- (1999) J. Phys. Chem. A , vol.103 , pp. 7692
- Zacarias, A.G.¹ Castro, M.² Tour, J.M.³ Seminario, J.M.⁴

3
- 0000494382
- (1997) Int. J. Quantum Chem. , vol.65 , pp. 749
- Seminario, J.M.¹ Tour, J.M.²

4
- 0000574484
- (1997) J. Chem. Phys. , vol.106 , pp. 9810
- Koretsky, G.M.¹ Knickelbein, M.B.²

5
- 0035420288
- (2001) J. Chem. Phys. , vol.155 , pp. 2165
- Fournier, R.¹

6
- 0011714847
- (1984) Phys. Rev. Lett. , vol.52 , pp. 2141
- Knight, W.D.¹ Clemenger, K.² De Heer, W.A.³ Saunders, W.A.⁴

7
- 0000083652
- (1985) Phys. Rev. B , vol.32 , pp. 1366
- Saunders, W.A.¹ Clemenger, K.² De Heer, W.A.³ Knight, W.D.⁴

8
- 0003659464
- (Springer, Berlin)
- (1995) Optical Properties of Metal Clusters
- Kreibeg, V.¹ Vollmer, M.²

9
- 0004042456
- (World Scientific, Singapore)
- (1997) Electric Dipole Polarizabilities of Atoms, Molecules, and Clusters
- Bonin, K.D.¹ Kresin, V.V.²

10
- 0342726388
- (1992) Chem. Phys. Lett. , vol.192 , pp. 129
- Knickelbein, M.B.¹

11
- 36749110738
- (1983) J. Chem. Phys. , vol.78 , pp. 2866
- Powers, D.E.¹ Hansen, S.G.² Geusic, M.E.³ Michalopoulos, D.L.⁴ Smalley, R.E.⁵

12
- 0001493152
- (2000) J. Chem. Phys. , vol.112 , pp. 1713
- Spasov, V.A.¹ Lee, T.-H.² Ervin, K.M.³

13
- 0001242321
- (2000) J. Chem. Phys. , vol.112 , pp. 4613
- Ingólfsson, O.¹ Busolt, U.² Sugawara, K.³

14
- 0001132639
- (1996) Phys. Rev. B , vol.53 , pp. 16644
- Holmgren, L.¹ Gronbeck, H.² Andersson, M.³ Rosén, A.⁴

15
- 36449000124
- (1991) J. Chem. Phys. , vol.94 , pp. 8618
- Winter, B.J.¹ Parks, E.K.² Riley, S.J.³

16
- 0000438322
- (1994) Phys. Rev. B , vol.49 , pp. 17360
- Lammers, V.¹ Borstel, G.²

17
- 0001603516
- (1999) Chem. Phys. Lett. , vol.314 , pp. 108
- Fuentealba, P.¹ Simón-Manso, Y.²

18
- 0005463563
- (1990) J. Chem. Phys. , vol.93 , pp. 6987
- Ho, J.¹ Ervin, K.M.² Lineberger, W.C.³

19
- 0009690108
- (1990) J. Phys. Chem. , vol.94 , pp. 5471
- Akeby, H.¹ Panas, I.² Pettersson, L.G.M.³ Siegbahn, P.⁴ Wahlgren, U.⁵

20
- 0001649233
- (1999) J. Phys. Chem. B , vol.103 , pp. 2830
- Balbuena, P.¹ Derosa, P.² Seminario, J.M.³

21
- 0031209930
- (1997) Surf. Sci. , vol.384 , pp. 24
- Padilla-Campos, L.¹ Toro-Labbé, A.² Maruani, J.³

22
- 0010115789
- (1997) J. Mol. Struct.: THEOCHEM , vol.390 , pp. 183
- Padilla-Campos, L.¹ Toro-Labbé, A.²

23
- 0000402891
- (1998) J. Chem. Phys. , vol.108 , pp. 6458
- Padilla-Campos, L.¹ Toro-Labbé, A.²

24
- 0347831388
- (1996) J. Chem. Phys. , vol.105 , pp. 9546
- Calaminici, P.¹ Koster, A.M.² Russo, N.³ Salahub, D.R.⁴

25
- 0001683214
- (1998) J. Chem. Phys. , vol.109 , pp. 7756
- Calaminici, P.¹ Jug, K.² Koster, A.M.³

26
- 0034247843
- (2000) J. Chem. Phys. , vol.113 , pp. 2199
- Calaminici, P.¹ Koster, A.M.² Vela, A.³

27
- 0001065723
- (1998) J. Chem. Phys. , vol.109 , pp. 6626
- Mossobrio, C.¹ Pasquarello, A.² Dal Corso, A.³

28
- 0000425671
- (1993) Phys. Rev. B , vol.47 , pp. 9715
- Jackson, K.A.¹

29
- 0037085888
- (2002) J. Chem. Phys. , vol.116 , pp. 4497
- Jug, K.¹ Zimmermann, B.² Calaminici, P.³ Koster, A.M.⁴

30
- 36549102900
- (1987) J. Chem. Phys. , vol.86 , pp. 1715
- Leopold, D.G.¹ Ho, J.² Lineberger, W.C.³

31
- 0001679386
- (1986) J. Chem. Phys. , vol.84 , pp. 6560
- Rohlfing, E.A.¹ Valentini, J.J.²

32
- 0000116883
- (1994) Chem. Phys. Lett. , vol.277 , pp. 503
- James, A.M.¹ Lemire, G.W.² Langridge-Smith, P.R.R.³

33
- 0003410662
- edited by K. D. Sen (Springer-Verlag, Berlin)
- (1993) Structure and Bonding: Chemical Hardness

34
- 0001367166
- (1995) Chem. Phys. Lett. , vol.237 , pp. 171
- Chattaraj, P.K.¹ Liu, G.H.² Parr, R.G.³

35
- 0000388366
- (1996) Proc. Indian Natl. Sci. Acad.-Part A , vol.62 , pp. 513
- Chattaraj, P.K.¹

36
- 0001758790
- (1992) J. Phys. Chem. , vol.96 , pp. 3283
- Pearson, R.G.¹ Palke, W.E.²

37
- 0001340767
- (1993) J. Phys. Chem. , vol.97 , pp. 4951
- Ghanty, T.K.¹ Ghosh, S.K.²

38
- 0003569570
- (Oxford University Press, New York)
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

39
- 0042534101
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 4049
- Parr, R.G.¹ Yang, W.²

40
- 33845375966
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 5708
- Yang, W.¹ Mortier, W.²

41
- 0040942563
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 1922
- Parr, R.G.¹ Von Szentpaly, L.² Liu, S.³

42
- 36749117171
- (1978) J. Chem. Phys. , vol.68 , pp. 3801
- Parr, R.G.¹ Donnelly, R.A.² Levy, M.³ Palke, W.E.⁴

43
- 0347291894
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512
- Parr, R.G.¹ Pearson, R.G.²

44
- 0000078594
- (1984) Inorg. Chem. , vol.23 , pp. 4675
- Pearson, R.G.¹

45
- 33845279338
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 7684
- Pearson, R.G.¹

46
- 0003413936
- (Wiley-VCH, Weinheim)
- (1997) Chemical Hardness: Applications from Molecules to Solids
- Pearson, R.G.¹

47
- 0001323342
- (1993) J. Chem. Phys. , vol.98 , pp. 1606
- Dal Pino, A.¹ Galván, M.² Arias, T.A.³ Joaunopoulos, J.D.⁴

48
- 84981562673
- (1995) Int. J. Quantum Chem. , vol.56 , pp. 819
- Mendizabal, F.¹ Contreras, R.² Aizman, A.³

49
- 3342943865
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 1854
- Parr, R.G.¹ Chattaraj, P.K.²

50
- 0000787092
- (1995) J. Phys. Chem. , vol.99 , pp. 5325
- Cárdenas-Jirón, G.I.¹ Lahsen, J.² Toro-Labbé, A.³

51
- 0008846659
- (1995) J. Phys. Chem. , vol.99 , pp. 12730
- Cárdenas-Jirón, G.I.¹ Toro-Labbé, A.²

52
- 1842792051
- (1999) Mol. Phys. , vol.96 , pp. 61
- Gutiérrez-Oliva, S.¹ Letelier, J.R.² Toro-Labbé, A.³

53
- 0037628564
- (2000) J. Phys. Chem. A , vol.104 , pp. 1557
- Pérez, P.¹ Toro-Labbé, A.²

54
- 0034802216
- (2001) J. Am. Chem. Soc. , vol.103 , pp. 7951
- Torrent-Sucarrat, M.¹ Luis, J.M.² Duran, M.³ Solà, M.⁴

55
- 0035629018
- (2001) Theor. Chem. Acc. , vol.105 , pp. 422
- Pérez, P.¹ Toro-Labbé, A.²

56
- 0001755197
- (2000) J. Phys. Chem. A , vol.104 , pp. 995
- Jaque, P.¹ Toro-Labbé, A.²

57
- 0038795357
- (2000) J. Phys. Chem. A , vol.104 , pp. 8955
- Gutiérrez-Oliva, S.¹ Jaque, P.² Toro-Labbé, A.³

58
- 0347008399
- (1996) J. Phys. Chem. , vol.100 , pp. 16126
- Chattaraj, P.K.¹ Sengupta, S.²

59
- 0000286262
- (1998) J. Phys. Chem. A , vol.102 , pp. 9944
- Chattaraj, P.K.¹ Poddar, A.²

60
- 0000145040
- (1999) J. Phys. Chem. A , vol.103 , pp. 1274
- Chattaraj, P.K.¹ Poddar, A.²

61
- 0001660918
- (1999) J. Phys. Chem. A , vol.103 , pp. 9307
- Chattaraj, P.K.¹ Fuentealba, P.² Jaque, P.³ Toro-Labbé, A.⁴

62
- 0034258033
- (2000) J. Phys. Chem. A , vol.104 , pp. 8418
- Hohm, U.¹

63
- 33645898818
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, W.R.²

64
- 0010112248
- (1993) J. Chem. Phys. , vol.98 , pp. 6648
- Becker, A.D.¹

65
- 33745770836
- (1985) J. Chem. Phys. , vol.82 , pp. 270
- Hay, P.J.¹ Wadt, W.R.²

66
- 0006073669
- (1985) J. Chem. Phys. , vol.82 , pp. 284
- Wadt, W.R.¹ Hay, P.J.²

67
- 2442481958
- (1996) J. Comput. Chem. , vol.17 , pp. 49
- Peng, C.¹ Ayala, P.Y.² Schlegel, H.B.³ Frisch, M.J.⁴

68
- 85005693478
- (1994) Isr. J. Chem. , vol.33 , pp. 449
- Peng, C.¹ Schlegel, H.B.²

69
- 0004133516
- Gaussian, Inc., Pittsburgh, PA
- (1998) Gaussian 98. Revision A9
- Frisch, J.M.¹ Trucks, G.W.² Schlegel, H.B.³

70
- 0000218524
- (1997) J. Chem. Phys. , vol.106 , pp. 3270
- De Proft, F.¹ Geerlings, P.²

71
- 4243943295
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

72
- 0010115790
- ALLCHEM (Universitat Hannover, Germany)
- (1998)
- Koster, A.M.¹ Krack, M.² Leboeuf, M.³ Zimmermann, B.⁴

73
- 0003468774
- (Dover, New York)
- (1996) Modern Quantum Chemistry
- Szabo, A.¹ Ostlund, N.S.²

74
- 0004004092
- (Presses Universitaires De Namur, Namur)
- (1997) Exploring Aspects of Computational Chemistry
- André, J.-M.¹ Mosley, D.H.² André, M.-C.³ Champagne, B.⁴ Clementi, M.⁵ Fripiat, J.G.⁶ Leherte, L.⁷ Pisani, L.⁸ Vercauteren, D.P.⁹ Vracko, M.¹⁰

75
- 0003406742
- (Wiley, New York)
- (1971) Introduction to Solid-State Physics, 4th Ed.
- Kittel, C.¹

76
- 35949005288
- (1993) Rev. Mod. Phys. , vol.65 , pp. 677
- Brack, M.¹

77
- 35949007293
- (1993) Rev. Mod. Phys. , vol.65 , pp. 611
- De Heer, W.¹

78
- 0032372024
- (1998) Theor. Chem. Acc. , vol.99 , pp. 83
- Politzer, P.¹ Abu-Awwad, F.²

79
- 0001005689
- (1993) Acc. Chem. Res. , vol.26 , pp. 256
- Parr, R.G.¹ Zhou, Z.²

80
- 0026537670
- (1992) Proc. Natl. Acad. Sci. U.S.A. , vol.89 , pp. 1036
- Harbola, M.K.¹

81
- 0034298343
- (2000) Int. J. Quantum Chem. , vol.80 , pp. 105
- Mineva, T.¹ Russo, N.² Toscano, M.³

82
- 4043168734
- (1990) Phys. Rev. Lett. , vol.65 , pp. 476
- Moullet, I.¹ Martins, J.L.² Reuse, F.³ Buttet, J.⁴

83
- 4243540796
- (1995) Theor. Chem. Acc. , vol.92 , pp. 149
- Pou-Amérigo, R.¹ Merchán, M.² Nebot-Gil, I.³ Widmark, P.-O.⁴ Ross, B.O.⁵

84
- 0040975103
- (1997) Int. J. Quantum Chem. , vol.63 , pp. 557
- Neogrady, P.¹ Killo, V.² Urban, M.³ Sadlej, A.J.⁴

85
- 0001583597
- (1988) Collect. Czech. Chem. Commun. , vol.53 , pp. 1995
- Sadlej, A.J.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.