SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 123, Issue 17, 2001, Pages 4049-4061

Probing molecular conformations with electron momentum spectroscopy: The case of n-butane

(4) Deleuze, M S a Pang, W N b,c Salam, A a Shang, R C b

a HASSELT UNIVERSITY (Belgium)

b TSINGHUA UNIVERSITY (China)

c UNIVERSITY OF MÜNSTER (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ORBITAL DENSITIES;

BINDING ENERGY; BUTANE; CARRIER CONCENTRATION; COMPUTER SIMULATION; ELECTRON SPECTROSCOPY; GREEN'S FUNCTION; PHOTOIONIZATION;

CONFORMATIONS;

BUTANE;

ARTICLE; CHEMICAL STRUCTURE; MOLECULAR DYNAMICS; QUANTUM MECHANICS; SPECTROSCOPY; THERMAL ANALYSIS;

EID: 0034794452 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0039886 Document Type: Article

Times cited : (65)

References (112)

1
- 0642312389
- (1963) J. Chem. Phys. , vol.39 , pp. 1963
- Bartell, L.S.¹ Kohl, D.A.²

2
- 0000223846
- (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 876
- Goodman, J.M.¹

3
- 0027391387
- (1993) Tetrahedron , vol.49 , pp. 387
- Gotô, H.¹ Ôsawa, E.² Yamato, M.³

4
- 0001051505
- (1998) J. Phys. Chem. A , vol.102 , pp. 7698
- Tasi, G.¹ Mizukamim, F.² Palinko, I.³ Csontos, J.⁴ Gyorffy, W.⁵ Nair, P.⁶ Maeda, K.⁷ Toba, M.⁸ Niwa, S.⁹ Kioyozumi, Y.¹⁰ Kiricsi, I.¹¹

5
- 0004117577
- Wiley: New York
- (1965) Conformational Analysis
- Eliel, E.L.¹ Allinger, N.L.² Angyal, S.J.³ Morrison, G.A.⁴

6
- 0004151408
- American Chemical Society: Washington DC
- (1982) Molecular Mechanics
- Burkert, U.¹ Allinger, N.L.²

7
- 84988075077
- (1988) J. Comput. Chem. , vol.9 , pp. 343
- Lipton, M.¹ Still, W.C.²

8
- 0032025802
- (1998) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 317
- Nair, N.¹ Goodman, J.M.²

9
- 0034677553
- (2000) J. Phys. Chem. A , vol.104 , pp. 1141
- Fraser, G.T.¹ Suenram, R.D.² Lugez, C.L.³

10
- 36849125469
- (1940) J. Chem. Phys. , vol.8 , pp. 711
- Pitzer, K.S.¹

11
- 0001233094
- (1953) J. Am. Chem. Soc. , vol.75 , pp. 2430
- Ito, K.¹

12
- 0000801362
- (1948) J. Chem. Phys. , vol.16 , pp. 704
- Sheppard, N.¹ Szasz, G.J.² Rank, D.H.³

13
- 0002161572
- (1949) J. Chem. Phys. , vol.17 , pp. 86
- Sheppard, N.¹ Szasz, G.J.²

14
- 36749119960
- (1974) J. Chem. Phys. , vol.60 , pp. 1540
- Verma, A.L.¹ Murphy, W.F.² Bernstein, H.J.³

15
- 0003220335
- (1979) Nouv. J. Chim. , vol.3 , pp. 579
- Devaure, J.¹ Lascombe, J.²

16
- 0000460631
- (1980) J. Chem. Phys. , vol.73 , pp. 2599
- Kint, S.¹ Scherer, J.R.² Snyder, R.G.³

17
- 0001502443
- (1982) J. Chem. Phys. , vol.76 , pp. 817
- Rosenthal, L.¹ Rabolt, J.F.² Hummel, J.³

18
- 0008179248
- (1991) J. Phys. Chem. , vol.95 , pp. 1124
- Murphy, W.F.¹ Ferandez-Sanchez, J.M.² Raghavachari, K.³

19
- 84986808820
- (1992) J. Raman Spectrosc. , vol.23 , pp. 413
- Murphy, W.F.¹

20
- 0000049763
- (1979) J. Phys. Chem. , vol.83 , pp. 265
- Durig, J.R.¹ Compton, D.A.²

21
- 0000631005
- (1986) Spectrochim. Acta, Part A , vol.42 , pp. 105
- Stidham, H.D.¹ Durig, J.R.²

22
- 84988164360
- (1991) J. Raman Spectrosc. , vol.22 , pp. 683
- Durig, J.R.¹ Wang, A.² Beshir, W.³ Little, T.S.⁴

23
- 0010299174
- (1995) J. Phys. Chem. , vol.99 , pp. 578
- Herrebout, W.A.¹ Van der Veken, B.J.² Wang, A.³ Durig, J.R.⁴

24
- 0000885042
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 5310
- Woller, P.B.¹ Garbisch E.W., Jr.²

25
- 0003157169
- (1967) J. Chem. Phys. , vol.46 , pp. 3951
- Piercy, J.E.¹ Rao, M.G.S.²

26
- 0003276098
- (1959) J. Am. Chem. Soc. , vol.81 , pp. 3951
- Bonham, R.A.¹ Bartell, L.S.²

27
- 0001601099
- (1963) J. Chem. Phys. , vol.39 , pp. 3097
- Bartell, L.S.¹ Kohl, D.A.²

28
- 0000558687
- (1977) J. Mol. Struct. , vol.38 , pp. 185
- Bradford, W.F.¹ Fitzwater, S.² Bartell, L.S.³

29
- 0001332631
- (1983) J. Chem. Phys. , vol.78 , pp. 1270
- Heenan, R.K.¹ Bartell, L.S.²

30
- 0001429947
- (1968) J. Chem. Phys. , vol.49 , pp. 2563
- Hoylan, J.R.¹

31
- 0042067712
- (1973) J. Am. Chem. Soc. , vol.95 , pp. 693
- Radom, L.¹ Lathan, W.A.² Hehre, W.J.³ Pople, J.A.⁴

32
- 0000159766
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 6911
- Peterson, M.R.¹ Csizmadia, I.G.²

33
- 84986469537
- (1980) J. Comput. Chem. , vol.1 , pp. 181
- Allinger, N.L.¹ Profeta S., Jr.²

34
- 0000460263
- (1981) Macromolecules , vol.14 , pp. 1575
- Darsey, J.A.¹ Rao, B.K.²

35
- 0008240935
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 6272
- Van-Catledge, F.A.¹ Allinger, N.L.²

36
- 36549102666
- (1984) J. Chem. Phys. , vol.81 , pp. 1383
- Raghavachari, K.¹

37
- 37049097758
- (1985) J. Chem. Soc., Faraday Trans. 2 , vol.81 , pp. 1077
- Steele, D.¹

38
- 33845279881
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 8029
- Wirberg, K.B.¹ Murcko, M.A.²

39
- 0025342926
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 114
- Allinger, N.L.¹ Grev, R.S.² Yates, B.F.³ Schaefer III, H.F.⁴

40
- 33748885435
- (1996) J. Phys. Chem. , vol.100 , pp. 16162
- Murcko, M.A.¹ Castejon, H.² Wiberg, K.B.³

41
- 4344576804
- (1996) J. Phys. Chem. , vol.100 , pp. 18718
- Smith, G.D.¹ Jaffe, R.L.²

42
- 84953651504
- (1975) J. Phys. Chem. Ref. Data , vol.4 , pp. 859
- Chen, S.S.¹ Wilhoit, R.C.² Zwolinski, B.J.³

43
- 33847087644
- (1980) J. Phys. Chem. , vol.84 , pp. 3587
- Compton, D.A.C.¹ Montero, S.² Murphy, W.F.³

44
- 0001737663
- (1997) J. Chem. Phys. , vol.106 , pp. 5143
- Allinger, N.L.¹ Fermann, J.T.² Allen, W.D.³ Schaefer III, H.F.⁴

45
- 25944459874
- (1976) Phys. Rev. A , vol.14 , pp. 2133
- Pireaux, J.-J.¹ Svensson, S.² Basilier, E.³ Malmqvist, P.-A.⁴ Gelius, U.⁵ Caudano, R.⁶ Siegbahn, K.⁷

46
- 0004033856
- Japan Scientific Society: Tokyo
- (1981) Handbook of HeI Photoelectron Spectra of Fundamental Organic Molecules
- Kimura, K.¹ Katsumata, S.² Achiba, Y.³ Yamazaki, T.⁴ Iwata, S.⁵

47
- 0000216135
- Shirley, D. A., Ed.; North: Holland, Amsterdam
- (1972) Electron Spectroscopy , pp. 187
- Price, W.C.¹ Potts, A.W.² Streets, D.G.³

48
- 37049123989
- (1974) J. Chem. Soc., Faraday Trans. II , vol.2 , pp. 875
- Potts, A.W.¹ Streets, D.²

49
- 0001653057
- (1981) J. Chem. Phys. , vol.75 , pp. 238
- Karpfen, A.¹

50
- 0000942725
- (1974) J. Chem. Phys. , vol.60 , pp. 595
- Delhalle, J.¹ André, J.-M.² Delhalle, S.³ Pireaux, J.J.⁴ Caudano, R.⁵ Verbist, J.J.⁶

51
- 0000604952
- (1984) Chem. Phys. Lett. , vol.103 , pp. 343
- Seki, K.¹ Karlsson, U.² Engelhardt, R.³ Koch, E.E.⁴

52
- 0002433025
- (1986) Chem. Phys. , vol.105 , pp. 247
- Seki, K.¹ Ueno, N.² Karlsson, U.O.³ Emgelhardt, R.⁴ Koch, E.E.⁵

53
- 0000248240
- (1987) Chem. Phys. Lett. , vol.141 , pp. 485
- Fujimoto, H.¹ Mori, T.² Inokuchi, H.³ Ueno, N.⁴ Sugita, K.⁵ Seki, K.⁶

54
- 0000051687
- (1990) Phys. Rev. B , vol.41 , pp. 1176
- Ueno, N.¹ Seki, K.² Sato, N.³ Fujimoto, H.⁴ Kuramochi, T.⁵ Sugita, K.⁶ Inokuchi, H.⁷

55
- 0003291964
- in French
- (1977) J. Phys. , vol.38 , pp. 1213
- Pireaux, J.-J.¹ Svensson, S.² Basilier, E.³ Malmqvist, P.-A.⁴ Gelius, U.⁵ Caudano, R.⁶ Siegbahn, K.⁷

56
- 0003155162
- in French
- (1977) J. Phys. , vol.38 , pp. 1221
- Pireaux, J.-J.¹ Svensson, S.² Basilier, E.³ Malmqvist, P.-A.⁴ Gelius, U.⁵ Caudano, R.⁶ Siegbahn, K.⁷

57
- 35948936903
- (1977) Phys. Rev. B , vol.15 , pp. 2242
- Pireaux, J.J.¹ Caudano, R.²

58
- 0346377800
- (1984) Am. J. Phys. , vol.52 , pp. 821
- Pireaux, J.J.¹ Caudano, R.²

59
- 0001282357
- (1993) J. Phys. Chem. , vol.97 , pp. 5115
- Deleuze, M.¹ Denis, J.-P.² Delhalle, J.³ Pickup, B.T.⁴

60
- 0000722587
- (1994) J. Phys. Chem. , vol.98 , pp. 2382
- Deleuze, M.¹ Delhalle, J.² Pickup, B.T.³

61
- 0001677344
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 10715
- Deleuze, M.¹ Delhalle, J.² Pickup, B.T.³ Svensson, S.⁴

62
- 0028461290
- (1994) Surf. Interface Anal. , vol.22 , pp. 507
- Riga, J.¹ Delhalle, J.² Deleuze, M.³ Pireaux, J.J.⁴ Verbist, J.⁵

63
- 0031555705
- (1997) J. Phys. Chem. B , vol.101 , pp. 884
- Duwez, A.S.¹ Di Paolo, S.² Ghijsens, J.³ Riga, J.⁴ Deleuze, M.⁵ Delhalle, J.⁶

64
- 0030287348
- (1996) J. Chem. Phys. , vol.105 , pp. 7583
- Deleuze, M.¹ Cederbaum, L.S.²

65
- 0000811481
- (1999) J. Chem. Phys. , vol.110 , pp. 6014
- Golod, A.¹ Deleuze, M.² Cederbaum, L.S.³

66
- 0002081733
- (1999) Adv. Quantum Chem. , vol.35 , pp. 77
- Deleuze, M.¹ Cederbaum, L.S.²

67
- 0000478316
- (1998) Chem. Phys. Lett. , vol.296 , pp. 605
- Pang, W.¹ Shang, R.² Gao, J.³ Gao, N.⁴ Chen, X.⁵ Deleuze, M.⁶

68
- 0343938293
- (1988) Rep. Prog. Phys. , vol.51 , pp. 299
- McCarthy, I.E.¹ Weigold, E.²

69
- 0003287065
- Maksic, Z. B., Ed.; Springer: Berlin
- (1991) Molecular Spectroscopy, Electronic Structure and Intermolecular Interactions , pp. 339
- Leung, K.T.¹

70
- 0343066504
- (1991) Rep. Prog. Phys. , vol.54 , pp. 789
- McCarthy, I.E.¹ Weigold, E.²

71
- 12044249714
- (1994) Rev. Modern. Phys. , vol.66 , pp. 985
- Coplan, M.A.¹ Moore, J.H.² Doering, J.P.³

72
- 0003292647
- (2000) J. Chem. Phys. , vol.112 , pp. 8043
- Pang, W.N.¹ Gao, J.F.² Ruan, C.J.³ Shang, R.C.⁴ Trofimov, A.B.⁵ Deleuze, M.S.⁶

73
- 0003216403
- (1990) J. Electron Spectrosc. Relat. Phenom. , vol.51 , pp. 629
- Weigold, E.¹

74
- 0001632747
- (1990) J. Electron Spectrosc. Relat. Phenom. , vol.53 , pp. 153
- Zheng, Y.¹ Weigold, W.² Brion, C.E.³ Von Niessen, W.⁴

75
- 0001217307
- (1990) Chem. Phys. , vol.41 , pp. 211
- Cook, J.P.D.¹ Pascual, R.² Weigold, E.³ Von Niessen, W.⁴ Tomasello, P.⁵

76
- 0002961436
- (1990) Chem. Phys. , vol.143 , pp. 1
- Clark, S.A.C.¹ Reddish, T.J.² Brion, C.E.³ Davidson, E.R.⁴ Frey, R.F.⁵

77
- 0001484129
- (1991) Chem. Phys. , vol.150 , pp. 405
- Weigold, E.¹ Zheng, Y.² Von Niessen, W.³

78
- 21144474030
- (1993) Chem. Phys. , vol.171 , pp. 303
- Hollebone, B.P.¹ Zheng, Y.² Brion, C.E.³ Davidson, E.R.⁴ Feller, D.⁵

79
- 21344494583
- (1994) Chem. Phys. , vol.185 , pp. 237
- Subramaniam, C.K.¹ Coplan, M.A.² Tossel, J.A.³ Moore, J.H.⁴ Leung, K.T.⁵

80
- 21744454933
- (1994) Chem. Phys. , vol.182 , pp. 361
- Samardzic, O.¹ Weigold, E.² Von Niessen, W.³ Zakrzewski, V.G.⁴ Brunger, M.J.⁵

81
- 21844507031
- (1994) Chem. Phys. , vol.188 , pp. 109
- Zheng, Y.¹ Neville, J.J.² Brion, C.E.³ Wang, Y.⁴ Davidson, E.R.⁵

82
- 0000976098
- (1995) Science , vol.270 , pp. 786
- Zheng, Y.¹ Neville, J.J.² Brion, C.E.³

83
- 21844500513
- (1995) Chem. Phys. , vol.196 , pp. 13
- Hollebone, B.P.¹ Neville, J.J.² Zheng, Y.³ Brion, C.E.⁴ Wang, Y.⁵ Davidson, E.R.⁶

84
- 0030504944
- (1996) Chem. Phys. , vol.212 , pp. 269
- Zheng, Y.¹ Brion, C.E.² Brunger, M.J.³ Zhao, K.⁴ Grisogono, A.M.⁵ Braidwood, S.⁶ Weigold, E.⁷ Chakravorty, S.J.⁸ Davidson, E.R.⁹ Sgamellotti, A.¹⁰ Von Niessen, W.¹¹

85
- 0029820807
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 10533
- Neville, J.J.¹ Zheng, Y.² Brion, C.E.³

86
- 0000648214
- (1996) Can J. Phys. , vol.74 , pp. 773
- Neville, J.J.¹ Zheng, Y.² Hollebone, B.P.³ Cann, N.M.⁴ Brion, C.E.⁵ Kim, C.K.⁶ Wolfe, S.⁷

87
- 0031568731
- (1997) Chem. Phys. , vol.215 , pp. 191
- Rolke, J.¹ Zheng, Y.² Brion, C.E.³ Chakravorty, S.J.⁴ Davidson, E.R.⁵ McCarthy, I.E.⁶

88
- 0031587252
- (1997) Chem. Phys. Lett. , vol.276 , pp. 346
- Fan, X.W.¹ Chen, X.J.² Zhou, S.J.³ Zheng, Y.⁴ Brion, C.E.⁵ Frey, R.⁶ Davidson, E.R.⁷

89
- 0032395166
- (1998) Chem. Phys. , vol.230 , pp. 153
- Rolke, J.¹ Zheng, Y.² Brion, C.E.³ Wang, Y.A.⁴ Davidson, E.R.⁵

90
- 0001740674
- (1999) J. Chem. Phys. , vol.111 , pp. 9526
- Zheng, Y.¹ Pang, W.N.² Shang, R.C.³ Chen, X.J.⁴ Brion, C.E.⁵ Ghanty, T.K.⁶ Davidson, E.R.⁷

91
- 26844534384
- (1980) J. Chem. Phys. , vol.72 , pp. 650
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

92
- 84986468715
- (1983) J. Comput. Chem. , vol.4 , pp. 294
- Clark, T.¹ Chandrasekhar, J.² Spitznagel, G.W.³ Schleyer, P.V.R.⁴

93
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

94
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

96
- 0000652126
- (1992) Chem. Phys. , vol.159 , pp. 347
- Duffy, P.¹ Casida, M.E.² Brion, C.E.³ Chong, D.P.⁴

97
- 0000995912
- (1998) Aust. J. Phys. , vol.51 , pp. 619
- Chen, X.J.¹

98
- 0001636680
- (1977) Adv. Chem. Phys. , vol.36 , pp. 205
- Cederbaum, L.S.¹ Domcke, W.²

99
- 65249175243
- (1981) Adv. Quantum Chem. , vol.13 , pp. 1
- Ohrn, Y.¹ Born, G.²

100
- 0001105578
- Leszczyinski, J., Ed.; World Scientific: Singapore
- (1997) Computational Chemistry: Reviews of Current trends , vol.2 , pp. 1
- Ortiz, J.V.¹

101
- 35949017553
- (1983) Phys. Rev. A , vol.28 , pp. 1237
- Schirmer, J.¹ Cederbaum, L.S.² Walter, O.³

102
- 0021411798
- (1984) Comput. Phys. Rep. , vol.1 , pp. 57
- Von Niessen, W.¹ Schirmer, J.² Cederbaum, L.S.³

103
- 36549090629
- (1989) J. Chem. Phys. , vol.91 , pp. 1754
- Schirmer, J.¹ Angonoa, G.²

104
- 0001511226
- (1995) J. Chem. Phys. , vol.103 , pp. 3578
- Deleuze, M.¹ Scheller, M.K.² Cederbaum, L.S.³

105
- 26344475340
- (1994) Phys. Rev. A , vol.50 , pp. 5707
- Duffy, P.¹ Chong, D.² Casida, M.E.³ Salahub, D.R.⁴

106
- 0000950044
- (1995) Mol. Phys. , vol.83 , pp. 655
- Deleuze, M.¹ Pickup, B.T.² Delhalle, J.³

107
- 0003291966
- The ADC(3) code developed by Scheller, M.K.; Angonoa, G.; Walter, O.; Schirmer, J. Contributions due to Trofimov, A. B

108
- 0001968788
- (1990) QCPE, Bull. , vol.10 , pp. 52
- Schmidt, M.W.¹ Baldridge, K.K.² Jensen, J.H.³ Koseki, S.⁴ Gordon, M.S.⁵ Nguyen, K.A.⁶ Windus, T.L.⁷ Elbert, S.T.⁸

109
- 0003635275
- LBL-8158; Lawrence Berkeley Laboratory, University of California: Springfield VA
- (1978) Numerical Algorithms in Chemistry, Algebraic Methods
- Liu, B.¹

110
- 0003287067
- Unpublished
- Tarantelli F.

111
- 84983547697
- (1987) J. Chem. Phys. , vol.86 , pp. 2201
- Tarantelli, F.¹ Sgamellotti, A.² Cederbaum, L.S.³ Schirmer, J.⁴

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