SCOPUS 정보 검색 플랫폼

Journal of Molecular Structure: THEOCHEM

Volumn 431, Issue 1-2, 1998, Pages 59-78

(Hyper)polarizability of chalcogenophenes C4H4X (X = O, S, Se, Te) conventional ab initio and density functional theory study

(2) Millefiori, S a Alparone, A a

a UNIVERSITY OF CATANIA (Italy)

Author keywords

(Hyper)polarizabilities; Aromaticity; Chalcogenophenes; Density functional theory; Hardness

Indexed keywords

EID: 0002074771 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(97)00418-1 Document Type: Article

Times cited : (41)

References (154)

1
- 0345720252
- K.J. Miller, J. Am. Chem. Soc. 112 (1990) 8533-8543.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 8533-8543
- Miller, K.J.¹

2
- 0011872765
- A.D. Buckingham (Ed.), Butterworths, London
- M.P. Bogard, B.J. Orr, in: Physical Chemistry. Series Two, Vol. 2. Molecular Structure and Properties, A.D. Buckingham (Ed.), Butterworths, London, 1975.
- (1975) Physical Chemistry. Series Two, Vol. 2. Molecular Structure and Properties , vol.2
- Bogard, M.P.¹ Orr, B.J.²

3
- 0003563289
- Adam Hilger, Bristol
- A. Hinchliffe, Ab initio Determination of Molecular Properties, Adam Hilger, Bristol, 1987.
- (1987) Ab Initio Determination of Molecular Properties
- Hinchliffe, A.¹

4
- 0000757103
- A.D. Buckingham, Adv. Chem. Phys. 12 (1967) 107.
- (1967) Adv. Chem. Phys. , vol.12 , pp. 107
- Buckingham, A.D.¹

5
- 0003998388
- CRC Press, Boca Raton
- T.M. Miller, in: CRC Handbook of Chemistry and Physics, 77th edn., CRC Press, Boca Raton, 1996-1997.
- (1996) CRC Handbook of Chemistry and Physics, 77th Edn.
- Miller, T.M.¹

6
- 0000422391
- H. Toufar, K. Nulens, G.O.A. Janssens, R.A. Schoonheydt, F. De Proft, P. Geerlings, J. Phys. Chem. 100 (1996) 15383.
- (1996) J. Phys. Chem. , vol.100 , pp. 15383
- Toufar, H.¹ Nulens, K.² Janssens, G.O.A.³ Schoonheydt, R.A.⁴ De Proft, F.⁵ Geerlings, P.⁶

7
- 0001532231
- S. Hati, B. Datta, D. Datta, J. Phys. Chem. 100 (1996) 19808.
- (1996) J. Phys. Chem. , vol.100 , pp. 19808
- Hati, S.¹ Datta, B.² Datta, D.³

8
- 0000478988
- S. Hati, D. Datta, J. Phys. Chem., 98 (1994) 10451; 99 (1995) 10742.
- (1994) J. Phys. Chem. , vol.98 , pp. 10451
- Hati, S.¹ Datta, D.²

9
- 33751154913
- S. Hati, D. Datta, J. Phys. Chem., 98 (1994) 10451; 99 (1995) 10742.
- (1995) J. Phys. Chem. , vol.99 , pp. 10742

10
- 0542412216
- T.K. Ghanty, S.K. Ghosh, J. Phys. Chem., 98 (1994) 9197; 100 (1996) 12295; 100 (1996) 17429.
- (1994) J. Phys. Chem. , vol.98 , pp. 9197
- Ghanty, T.K.¹ Ghosh, S.K.²

11
- 0030198257
- T.K. Ghanty, S.K. Ghosh, J. Phys. Chem., 98 (1994) 9197; 100 (1996) 12295; 100 (1996) 17429.
- (1996) J. Phys. Chem. , vol.100 , pp. 12295

12
- 33745017564
- T.K. Ghanty, S.K. Ghosh, J. Phys. Chem., 98 (1994) 9197; 100 (1996) 12295; 100 (1996) 17429.
- (1996) J. Phys. Chem. , vol.100 , pp. 17429

13
- 0000163678
- R. Roy, A.K. Chandra, S. Pal, J. Phys. Chem. 98 (1994) 10447.
- (1994) J. Phys. Chem. , vol.98 , pp. 10447
- Roy, R.¹ Chandra, A.K.² Pal, S.³

14
- 3943103247
- M. Segre de Giambiagi, M. Giambiagi, J. Mol. Struct. (Theochem) 288 (1993) 273.
- (1993) J. Mol. Struct. (Theochem) , vol.288 , pp. 273
- Segre De Giambiagi, M.¹ Giambiagi, M.²

15
- 36549099532
- P. Politzer, J. Chem. Phys. 86 (1987) 1072.
- (1987) J. Chem. Phys. , vol.86 , pp. 1072
- Politzer, P.¹

16
- 0000098060
- A. Vela, J.L. Gazquez, J. Am. Chem. Soc. 112 (1989) 1490.
- (1989) J. Am. Chem. Soc. , vol.112 , pp. 1490
- Vela, A.¹ Gazquez, J.L.²

17
- 0011690375
- S.B. Bulgarevich, T.A. Yusman, O.A. Osipov, J. Gen. Chem. USSR 54 (1984) 1427.
- (1984) J. Gen. Chem. USSR , vol.54 , pp. 1427
- Bulgarevich, S.B.¹ Yusman, T.A.² Osipov, O.A.³

18
- 0000379062
- P. Lazzeretti, J.A. Tossell, J. Mol. Struct. (Theochem) 236 (1991) 403.
- (1991) J. Mol. Struct. (Theochem) , vol.236 , pp. 403
- Lazzeretti, P.¹ Tossell, J.A.²

19
- 0010713252
- A. Hinchliffe, H.J. Soscún, J. Mol. Struct. (Theochem) 331 (1995) 109.
- (1995) J. Mol. Struct. (Theochem) , vol.331 , pp. 109
- Hinchliffe, A.¹ Soscún, H.J.²

20
- 0000162766
- E.F. Archibond, A.J. Thakkar, Mol. Phys. 81 (1994) 557.
- (1994) Mol. Phys. , vol.81 , pp. 557
- Archibond, E.F.¹ Thakkar, A.J.²

21
- 33751054183
- N. El-Bakali Kassimi, R.J. Doerksen, A.J. Thakkar, J. Phys. Chem. 99 (1995) 12790.
- (1995) J. Phys. Chem. , vol.99 , pp. 12790
- El-Bakali Kassimi, N.¹ Doerksen, R.J.² Thakkar, A.J.³

22
- 0000217662
- N. El-Bakali Kassimi, R.J. Doerksen, A.J. Thakkar, J. Phys. Chem. 100 (1996) 8752.
- (1996) J. Phys. Chem. , vol.100 , pp. 8752
- El-Bakali Kassimi, N.¹ Doerksen, R.J.² Thakkar, A.J.³

23
- 0031076151
- P.W. Fowler, E. Steiner, J. Phys. Chem. 101 (1997) 1409.
- (1997) J. Phys. Chem. , vol.101 , pp. 1409
- Fowler, P.W.¹ Steiner, E.²

24
- 0003202665
- U. Dinur, J. Mol. Struct. (Theochem) 303 (1994) 227.
- (1994) J. Mol. Struct. (Theochem) , vol.303 , pp. 227
- Dinur, U.¹

25
- 4143107371
- J.K. Nagle, J. Am. Chem. Soc. 112 (1990) 4741.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 4741
- Nagle, J.K.¹

26
- 0042958914
- L. Komorowski, Chem. Phys. 114 (1987) 5571.
- (1987) Chem. Phys. , vol.114 , pp. 5571
- Komorowski, L.¹

27
- 33745017564
- [24[ T.K. Ghanty, S.K. Ghosh, J. Phys. Chem. 100 (1996) 17429.
- (1996) J. Phys. Chem. , vol.100 , pp. 17429
- Ghanty, T.K.¹ Ghosh, S.K.²

28
- 0004173645
- Academic Press, New York
- Molecular Nonlinear Optics, Materials, Physics, and Devices, J. Zyss (Ed.), Academic Press, New York, 1994.
- (1994) Molecular Nonlinear Optics, Materials, Physics, and Devices
- Zyss, J.¹

29
- 33947091822
- J. Applequist, J.R. Carl, K.-K. Fung, J. Am. Chem. Soc. 94 (1972) 2952.
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 2952
- Applequist, J.¹ Carl, J.R.² Fung, K.-K.³

30
- 37049141599
- M.J. Aroney, G. Cleaver, R.J.W. Le Fevre, R.K. Pierens, J. Chem. Soc. B (1971) 82.
- (1971) J. Chem. Soc. , vol.B , pp. 82
- Aroney, M.J.¹ Cleaver, G.² Le Fevre, R.J.W.³ Pierens, R.K.⁴

31
- 36749117756
- B.F. Levine, C.G. Bethea, J. Chem. Phys. 63 (1975) 2666.
- (1975) J. Chem. Phys. , vol.63 , pp. 2666
- Levine, B.F.¹ Bethea, C.G.²

32
- 36749107537
- J.L. Oudar, J. Chem. Phys. 67 (1977) 446.
- (1977) J. Chem. Phys. , vol.67 , pp. 446
- Oudar, J.L.¹

33
- 5944242890
- K. Clays, A. Persoons, Phys. Rev. Lett. 66 (1991) 2980.
- (1991) Phys. Rev. Lett. , vol.66 , pp. 2980
- Clays, K.¹ Persoons, A.²

34
- 0001425541
- K. Clays, A. Persoons, L. De Maeyer, Adv. Chem. Phys. 85 (1994) 455.
- (1994) Adv. Chem. Phys. , vol.85 , pp. 455
- Clays, K.¹ Persoons, A.² De Maeyer, L.³

35
- 0003931621
- Elsevier, Amsterdam
- C.E. Dykstra, Ab initio Calculation of the Structure and Properties of Molecules, Elsevier, Amsterdam, 1988.
- (1988) Ab Initio Calculation of the Structure and Properties of Molecules
- Dykstra, C.E.¹

36
- 0000339314
- C. Voisin, A. Cartier, J.-L. Rivail, J. Phys. Chem. 96 (1992) 7966.
- (1992) J. Phys. Chem. , vol.96 , pp. 7966
- Voisin, C.¹ Cartier, A.² Rivail, J.-L.³

37
- 0003595556
- U.S. Nalwa (Ed.), John Wiley and Sons, in press
- E.J. Samuelsen, J. Mårdalen, in: Handbook of Organic Conductive Molecules and Polymers, Vol. 3. Conductive Polymers: Spectroscopy and Physical Properties, U.S. Nalwa (Ed.), John Wiley and Sons, 1997, in press.
- (1997) Handbook of Organic Conductive Molecules and Polymers, Vol. 3. Conductive Polymers: Spectroscopy and Physical Properties , vol.3
- Samuelsen, E.J.¹ Mårdalen, J.²

38
- 0041455917
- C. Schopf, G. Kossmehl, Adv. Polym. Sci. 129 (1997).
- (1997) Adv. Polym. Sci. , vol.129
- Schopf, C.¹ Kossmehl, G.²

39
- 0003545308
- Wiley, New York
- Introduction to Nonlinear Optical Effects in Molecules and Polymers, P.N. Prasad and D.J. Williams (Eds), Wiley, New York, 1991.
- (1991) Introduction to Nonlinear Optical Effects in Molecules and Polymers
- Prasad, P.N.¹ Williams, D.J.²

40
- 0027850372
- S. Glenis, M. Benz, E. LeGoff, J.L. Schindler, C.R. Kannewurf, M.G. Kanatzidis, J. Am. Chem. Soc. 115 (1993) 12519.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 12519
- Glenis, S.¹ Benz, M.² LeGoff, E.³ Schindler, J.L.⁴ Kannewurf, C.R.⁵ Kanatzidis, M.G.⁶

41
- 0000376841
- I.H. Jenkins, U. Salzner, P.G. Pickup, Chem. Mat. 8 (1996) 2444.
- (1996) Chem. Mat. , vol.8 , pp. 2444
- Jenkins, I.H.¹ Salzner, U.² Pickup, P.G.³

42
- 0029274268
- T. Otsubo, S. Inoue, H. Nozoe, T. Jigami, F. Ogura, Synth. Met. 69 (1995) 537.
- (1995) Synth. Met. , vol.69 , pp. 537
- Otsubo, T.¹ Inoue, S.² Nozoe, H.³ Jigami, T.⁴ Ogura, F.⁵

43
- 37049060808
- C.G. Le Fevre, R.J.W. Le Fevre, B.P. Rao, M.R. Smith, J. Chem. Soc. (1959) 1188.
- (1959) J. Chem. Soc. , pp. 1188
- Le Fevre, C.G.¹ Le Fevre, R.J.W.² Rao, B.P.³ Smith, M.R.⁴

44
- 0000816998
- G.R. Dennis, I.R. Gentle, G.L.D. Ritchie, C.G. Andrieu, J. Chem. Soc. Faraday Trans. 2 79 (1983) 539.
- (1983) J. Chem. Soc. Faraday Trans. , vol.2 , Issue.79 , pp. 539
- Dennis, G.R.¹ Gentle, I.R.² Ritchie, G.L.D.³ Andrieu, C.G.⁴

45
- 0000634566
- M.H. Coonan, I.E. Craven, M.R. Hesling, G.L.D. Ritchie, M.A. Spackman, J. Phys. Chem. 96 (1992) 7301.
- (1992) J. Phys. Chem. , vol.96 , pp. 7301
- Coonan, M.H.¹ Craven, I.E.² Hesling, M.R.³ Ritchie, G.L.D.⁴ Spackman, M.A.⁵

46
- 0010256429
- M.T. Zhao, B.P. Singh, P.N. Prasad, J. Chem. Phys. 89 (1988) 5535.
- (1988) J. Chem. Phys. , vol.89 , pp. 5535
- Zhao, M.T.¹ Singh, B.P.² Prasad, P.N.³

47
- 33751155296
- V. Keshari, W.M.K.P. Wijekoon, P.N. Prasad, S.P. Karna, J. Phys. Chem. 99 (1995) 9045.
- (1995) J. Phys. Chem. , vol.99 , pp. 9045
- Keshari, V.¹ Wijekoon, W.M.K.P.² Prasad, P.N.³ Karna, S.P.⁴

48
- 36449002184
- B. Champagne, D.H. Mosley, J.M. André, J. Chem. Phys. 100 (1994) 2034.
- (1994) J. Chem. Phys. , vol.100 , pp. 2034
- Champagne, B.¹ Mosley, D.H.² André, J.M.³

49
- 0342695292
- C. Adant, J.L. Bredas, M. Dupuis, J. Phys. Chem. 101 (1997) 3025.
- (1997) J. Phys. Chem. , vol.101 , pp. 3025
- Adant, C.¹ Bredas, J.L.² Dupuis, M.³

50
- 0030573096
- K. Kamada, M. Ueda, T. Gakaguchi, K. Hota, T. Fukui, Chem. Phys. Lett. 263 (1996) 215.
- (1996) Chem. Phys. Lett. , vol.263 , pp. 215
- Kamada, K.¹ Ueda, M.² Gakaguchi, T.³ Hota, K.⁴ Fukui, T.⁵

51
- 0004133516
- Gaussian, Inc., Pittsburg PA
- Gaussian 94 (Revision B.I), M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M. A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, H.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzales, J.A. Pople, Gaussian, Inc., Pittsburg PA, 1995.
- (1995) Gaussian 94 (Revision B.I)
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.A.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

52
- 0003718311
- Elsevier
- S. Huzinaga, J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakay, H. Tatewaki, Gaussian Basis Sets for Molecular Calculations, Elsevier, 1984.
- (1984) Gaussian Basis Sets for Molecular Calculations
- Huzinaga, S.¹ Andzelm, J.² Klobukowski, M.³ Radzio-Andzelm, E.⁴ Sakay, Y.⁵ Tatewaki, H.⁶

53
- 0000582268
- J. Dougherty, M.A. Spackman, Mol. Phys. 82 (1994) 193.
- (1994) Mol. Phys. , vol.82 , pp. 193
- Dougherty, J.¹ Spackman, M.A.²

54
- 0001583597
- A.J. Sadlej, Collect. Czech. Chem. Comm. 53 (1988) 1995.
- (1988) Collect. Czech. Chem. Comm. , vol.53 , pp. 1995
- Sadlej, A.J.¹

55
- 1542478809
- A.J. Sadlej, Theoret. Chim. Acta 79 (1991) 123.
- (1991) Theoret. Chim. Acta , vol.79 , pp. 123
- Sadlej, A.J.¹

56
- 34249919893
- A.J. Sadlej, Theoret. Chim. Acta 81 (1991) 45.
- (1991) Theoret. Chim. Acta , vol.81 , pp. 45
- Sadlej, A.J.¹

57
- 0343223674
- A.J. Sadlej, Theoret. Chim. Acta 81 (1992) 339.
- (1992) Theoret. Chim. Acta , vol.81 , pp. 339
- Sadlej, A.J.¹

58
- 0001987985
- S.A.C. McDowell, R.D. Amos, N.C. Handy, Chem. Phys. Lett. 235 (1995) 1.
- (1995) Chem. Phys. Lett. , vol.235 , pp. 1
- McDowell, S.A.C.¹ Amos, R.D.² Handy, N.C.³

59
- 36449002758
- J. Guan, P. Duffy, J.T. Carter, D.P. Chong, K.C. Casida, M.E. Casida, M. Wrinn, J. Chem. Phys. 98 (1993) 4753.
- (1993) J. Chem. Phys. , vol.98 , pp. 4753
- Guan, J.¹ Duffy, P.² Carter, J.T.³ Chong, D.P.⁴ Casida, K.C.⁵ Casida, M.E.⁶ Wrinn, M.⁷

60
- 33751157505
- M. Matsuzawa, D.A. Dixon, J. Phys. Chem. 98 (1994) 2545.
- (1994) J. Phys. Chem. , vol.98 , pp. 2545
- Matsuzawa, M.¹ Dixon, D.A.²

61
- 0003460779
- McGraw-Hill, New York
- J.C. Slater, Quantum Theory of Molecules and Solids, McGraw-Hill, New York 1974, Vol. 4.
- (1974) Quantum Theory of Molecules and Solids , vol.4
- Slater, J.C.¹

62
- 0000189651
- A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

63
- 0000216001
- S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58 (1980) 1200.
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

64
- 0345491105
- C. Lee, W. Yang, R.G. Parr, Phys. Rev. B37 (1988) 785.
- (1988) Phys. Rev. , vol.B37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

65
- 33746307948
- D.A. Kleinman, Phys. Rev. 126 (1962) 1977.
- (1962) Phys. Rev. , vol.126 , pp. 1977
- Kleinman, D.A.¹

66
- 0003145007
- A.D. Buckingham, M.J. Stephen, Trans. Farad. Soc. 53 (1957) 884.
- (1957) Trans. Farad. Soc. , vol.53 , pp. 884
- Buckingham, A.D.¹ Stephen, M.J.²

67
- 0038078879
- D.P. Shelton, J.E. Rice, Chem. Rev. 94 (1994) 3.
- (1994) Chem. Rev. , vol.94 , pp. 3
- Shelton, D.P.¹ Rice, J.E.²

68
- 0001393783
- A. Willetts, J.E. Rice, D.M. Burland, D.P. Shelton, J. Chem. Phys. 97 (1992) 7590.
- (1992) J. Chem. Phys. , vol.97 , pp. 7590
- Willetts, A.¹ Rice, J.E.² Burland, D.M.³ Shelton, D.P.⁴

69
- 4243715710
- C.E. Dykstra, P.J. Jasien, Chem. Phys. Lett. 109 (1984) 388.
- (1984) Chem. Phys. Lett. , vol.109 , pp. 388
- Dykstra, C.E.¹ Jasien, P.J.²

70
- 0002232990
- H.D. Cohen, C.C. Roothan, J. Chem. Phys. 43 (1965) 534.
- (1965) J. Chem. Phys. , vol.43 , pp. 534
- Cohen, H.D.¹ Roothan, C.C.²

71
- 33845715138
- D.P. Chong, S.R. Langhoff, J. Chem. Phys. 93 (1990) 570.
- (1990) J. Chem. Phys. , vol.93 , pp. 570
- Chong, D.P.¹ Langhoff, S.R.²

72
- 33845183749
- P. Chopra, L. Carlacci, H.F. King, P.N. Prasad, J. Phys. Chem. 93 (1989) 7120.
- (1989) J. Phys. Chem. , vol.93 , pp. 7120
- Chopra, P.¹ Carlacci, L.² King, H.F.³ Prasad, P.N.⁴

73
- 36549092205
- J.E. Rice, R.D. Amos, S.M. Colwell, N.C. Handy, J. Sanz, J. Chem. Phys. 93 (1990) 8828.
- (1990) J. Chem. Phys. , vol.93 , pp. 8828
- Rice, J.E.¹ Amos, R.D.² Colwell, S.M.³ Handy, N.C.⁴ Sanz, J.⁵

74
- 0029307493
- D.M. Bishop, J. Pipin, B. Kirtman, J. Chem. Phys. 102 (1995) 6778.
- (1995) J. Chem. Phys. , vol.102 , pp. 6778
- Bishop, D.M.¹ Pipin, J.² Kirtman, B.³

75
- 84984153757
- H.A. Kurtz, J.J.P. Stewart, K.M. Dieter, J. Comput. Chem. 11 (1990) 82.
- (1990) J. Comput. Chem. , vol.11 , pp. 82
- Kurtz, H.A.¹ Stewart, J.J.P.² Dieter, K.M.³

76
- 84981562822
- C. Adant, M. Dupuis, J.L. Brédas, Int. J. Quantum Chem., Quantum Chem. Symp. 29 (1995) 497.
- (1995) Int. J. Quantum Chem., Quantum Chem. Symp. , vol.29 , pp. 497
- Adant, C.¹ Dupuis, M.² Brédas, J.L.³

77
- 33751069637
- V.K. Yadav, A. Yadav, R. Poirier, J. Mol. Struct. (Theochem) 186 (1989) 101.
- (1989) J. Mol. Struct. (Theochem) , vol.186 , pp. 101
- Yadav, V.K.¹ Yadav, A.² Poirier, R.³

78
- 0011110718
- A.A. El-Azhary, H.U. Suter, J. Phys. Chem. 100 (1996) 15056.
- (1996) J. Phys. Chem. , vol.100 , pp. 15056
- El-Azhary, A.A.¹ Suter, H.U.²

79
- 21844523679
- M.-H. Palmer, I.C. Walker, C.C. Ballard, M.F. Guest, Chem. Phys. 192 (1995) 111.
- (1995) Chem. Phys. , vol.192 , pp. 111
- Palmer, M.-H.¹ Walker, I.C.² Ballard, C.C.³ Guest, M.F.⁴

80
- 33845280768
- K.K. Baldridge, M.S. Gordon, J. Am. Chem. Soc. 110 (1988) 4204.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 4204
- Baldridge, K.K.¹ Gordon, M.S.²

81
- 0001208648
- E. Simandiras, N.C. Handy, R.D. Amos, J. Phys. Chem. 92 (1988) 1739.
- (1988) J. Phys. Chem. , vol.92 , pp. 1739
- Simandiras, E.¹ Handy, N.C.² Amos, R.D.³

82
- 0029637644
- E. Ortì P.M. Viruela, J. Sanchez-Martin, F. Tomás, J. Phys. Chem. 99 (1995) 4955.
- (1995) J. Phys. Chem. , vol.99 , pp. 4955
- Ortì, E.¹ Viruela, P.M.² Sanchez-Martin, J.³ Tomás, F.⁴

83
- 0001176504
- M. Kofranek, T. Kovar, H. Lischka, A. Karpfen, J. Mol. Struct. (Theochem) 259 (1992) 181.
- (1992) J. Mol. Struct. (Theochem) , vol.259 , pp. 181
- Kofranek, M.¹ Kovar, T.² Lischka, H.³ Karpfen, A.⁴

84
- 0001692267
- F. Elfeninat, C. Fredriksson, E. Sacher, A. Selmani, J. Chem. Phys. 102 (1995) 6153.
- (1995) J. Chem. Phys. , vol.102 , pp. 6153
- Elfeninat, F.¹ Fredriksson, C.² Sacher, E.³ Selmani, A.⁴

85
- 0001165749
- G. Brocks, J. Phys. Chem. 100 (1996) 17327.
- (1996) J. Phys. Chem. , vol.100 , pp. 17327
- Brocks, G.¹

86
- 0040999525
- M. Bühl, W. Thiel, U. Fleischer, W. Kutzelnigg, J. Phys. Chem. 99 (1995) 4000.
- (1995) J. Phys. Chem. , vol.99 , pp. 4000
- Bühl, M.¹ Thiel, W.² Fleischer, U.³ Kutzelnigg, W.⁴

87
- 33751058027
- B. Ma, J.-H. Lü, H.F. Schaefer III, N.L. Allinger, J. Phys. Chem. 100 (1996) 8763.
- (1996) J. Phys. Chem. , vol.100 , pp. 8763
- Ma, B.¹ Lü, J.-H.² Schaefer H.F. III³ Allinger, N.L.⁴

88
- 0343265434
- W. Kutzelnigg, Angew. Chem. Int. Ed. 23 (1984) 272.
- (1984) Angew. Chem. Int. Ed. , vol.23 , pp. 272
- Kutzelnigg, W.¹

89
- 0001377092
- H. Guo, M. Karplus, J. Chem. Phys. 94 (1991) 3679.
- (1991) J. Chem. Phys. , vol.94 , pp. 3679
- Guo, H.¹ Karplus, M.²

90
- 0002434172
- K. Kveseth, R. Seip, D.A. Kohl, Acta. Chem. Scand. A 34 (1980) 31.
- (1980) Acta. Chem. Scand. A , vol.34 , pp. 31
- Kveseth, K.¹ Seip, R.² Kohl, D.A.³

91
- 0004097648
- NBO Version 3.1, E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold.
- NBO Version 3.1
- Glendening, E.D.¹ Reed, A.E.² Carpenter, J.E.³ Weinhold, F.⁴

92
- 33845185172
- J. Cioslowski, J. Am. Chem. Soc. 111 (1989) 8333.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 8333
- Cioslowski, J.¹

93
- 0030102917
- H. DeProft, J.H.L. Martin, P. Gerlings, Chem. Phys. Lett. 250 (1996) 393.
- (1996) Chem. Phys. Lett. , vol.250 , pp. 393
- DeProft, H.¹ Martin, J.H.L.² Gerlings, P.³

94
- 37049138219
- H. Lumbroso, D.M. Bertin, F. Fringuelli, A. Taticchi, J. Chem. Soc. Chem. Comm. (1973) 342
- (1973) J. Chem. Soc. Chem. Comm. , pp. 342
- Lumbroso, H.¹ Bertin, D.M.² Fringuelli, F.³ Taticchi, A.⁴

95
- 37049134418
- F. Fringuelli, G. Marino, A. Taticchi, G. Grandolini, J. Chem. Soc. Perkin Trans 2. (1974) 332.
- (1974) J. Chem. Soc. Perkin Trans , vol.2 , pp. 332
- Fringuelli, F.¹ Marino, G.² Taticchi, A.³ Grandolini, G.⁴

96
- 85033262646
- M. Sirvetz, J. Chem. Phys. 19 (1951) 1609.
- (1951) J. Chem. Phys. , vol.19 , pp. 1609
- Sirvetz, M.¹

97
- 0002130737
- T. Ogata, K. Kozima, J. Mol. Spectrosc. 42 (1972) 38.
- (1972) J. Mol. Spectrosc. , vol.42 , pp. 38
- Ogata, T.¹ Kozima, K.²

98
- 0003919090
- R.D. Brown, F.R. Burden, P.D. Godfrey, J. Mol. Spectrosc. 25 (1968) 415.
- (1968) J. Mol. Spectrosc. , vol.25 , pp. 415
- Brown, R.D.¹ Burden, F.R.² Godfrey, P.D.³

99
- 0000843795
- J.L. Toto, T.T. Toto, C.P. de Melo. Chem. Phys. Lett. 245 (1995) 660.
- (1995) Chem. Phys. Lett. , vol.245 , pp. 660
- Toto, J.L.¹ Toto, T.T.² De Melo, C.P.³

100
- 0042457904
- in press
- S. Millefiori, A. Alparone, J. Mol. Struct. (Theochem), in press.
- J. Mol. Struct. (Theochem)
- Millefiori, S.¹ Alparone, A.²

101
- 0003569570
- Oxford University Press, Oxford
- R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, Oxford, 1989.
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

102
- 84990713792
- I. Kanev, Int. J. Quantum Chem. 48 (1993) 333.
- (1993) Int. J. Quantum Chem. , vol.48 , pp. 333
- Kanev, I.¹

103
- 11344254295
- S. Liu, C.E. Dykstra, J. Phys. Chem. 91 (1987) 1749.
- (1987) J. Phys. Chem. , vol.91 , pp. 1749
- Liu, S.¹ Dykstra, C.E.²

104
- 0000379062
- P. Lazzeretti, J.A. Tossell, J. Mol. Struct. (Theochem) 23 (1991) 403.
- (1991) J. Mol. Struct. (Theochem) , vol.23 , pp. 403
- Lazzeretti, P.¹ Tossell, J.A.²

105
- 0042457903
- S.P. Karna, J. Phys. Chem. 104 (1996) 6590.
- (1996) J. Phys. Chem. , vol.104 , pp. 6590
- Karna, S.P.¹

106
- 0001827641
- P.W. Fowler, A.J. Sadlej, Mol. Phys. 73 (1991) 43.
- (1991) Mol. Phys. , vol.73 , pp. 43
- Fowler, P.W.¹ Sadlej, A.J.²

107
- 36449009375
- H. Sekino, R.J. Bartlett, J. Chem. Phys. 98 (1993) 3022.
- (1993) J. Chem. Phys. , vol.98 , pp. 3022
- Sekino, H.¹ Bartlett, R.J.²

108
- 0007327967
- A.E. Kondo, P. Piecuch, J. Paldus, J. Chem. Phys. 104 (1996) 8566.
- (1996) J. Chem. Phys. , vol.104 , pp. 8566
- Kondo, A.E.¹ Piecuch, P.² Paldus, J.³

109
- 0001734807
- H. Ågren, O. Vatras, H. Koch, P. Jørgensen, T. Helgaker, J. Chem. Phys. 98 (1993) 6417.
- (1993) J. Chem. Phys. , vol.98 , pp. 6417
- Ågren, H.¹ Vatras, O.² Koch, H.³ Jørgensen, P.⁴ Helgaker, T.⁵

110
- 0029639490
- W.J. Lauderdale, M.B. Coolidge, J. Phys. Chem. 99 (1995) 9368.
- (1995) J. Phys. Chem. , vol.99 , pp. 9368
- Lauderdale, W.J.¹ Coolidge, M.B.²

111
- 0000603599
- J.F. Ward, C.K. Miller, Phys. Rev. A 19 (1979) 826.
- (1979) Phys. Rev. A , vol.19 , pp. 826
- Ward, J.F.¹ Miller, C.K.²

112
- 0000449415
- G. Maroulis, J. Phys. Chem. 100 (1996) 13466 and references cited therein.
- (1996) J. Phys. Chem. , vol.100 , pp. 13466
- Maroulis, G.¹

113
- 0010799374
- M. Mérawa, M. Rérat, C. Pouchan, J. Chim. Phys. 91 (1994) 1387.
- (1994) J. Chim. Phys. , vol.91 , pp. 1387
- Mérawa, M.¹ Rérat, M.² Pouchan, C.³

114
- 36449008881
- J.M. Luis, J. Martí, M. Duran, J.L. Andrés, J. Chem. Phys. 102 (1995) 7573.
- (1995) J. Chem. Phys. , vol.102 , pp. 7573
- Luis, J.M.¹ Martí, J.² Duran, M.³ Andrés, J.L.⁴

115
- 0003588966
- Van Nostrand-Reinhold, New York
- K.P. Huber, G. Herberg, Molecular Spectra and Molecular Structure IV, Van Nostrand-Reinhold, New York, 1979.
- (1979) Molecular Spectra and Molecular Structure IV
- Huber, K.P.¹ Herberg, G.²

116
- 0010019459
- J.E. Bloor, J. Mol. Struct. (Theochem) 234 (1991) 173.
- (1991) J. Mol. Struct. (Theochem) , vol.234 , pp. 173
- Bloor, J.E.¹

117
- 0000899151
- P. Lazzeretti, R. Zanasi, J. Chem. Phys. 74 (1981) 5216.
- (1981) J. Chem. Phys. , vol.74 , pp. 5216
- Lazzeretti, P.¹ Zanasi, R.²

118
- 0010027354
- W.A. Parkinson, J. Oddershede, J. Chem. Phys. 94 (1991) 7251.
- (1991) J. Chem. Phys. , vol.94 , pp. 7251
- Parkinson, W.A.¹ Oddershede, J.²

119
- 0001021380
- G. Maroulis, J. Chem. Phys. 101 (1994) 4949.
- (1994) J. Chem. Phys. , vol.101 , pp. 4949
- Maroulis, G.¹

120
- 0030582276
- G. Maroulis, Chem. Phys. Lett. 259 (1996) 654.
- (1996) Chem. Phys. Lett. , vol.259 , pp. 654
- Maroulis, G.¹

121
- 36549097845
- H. Sekino, R.J. Bartlett, J. Chem. Phys. 84 (1986) 2726.
- (1986) J. Chem. Phys. , vol.84 , pp. 2726
- Sekino, H.¹ Bartlett, R.J.²

122
- 0031560715
- C. Hättig, O. Cristiansen, H. Koch, P. Jørgensen, Chem. Phys. Lett. 269 (1997) 428.
- (1997) Chem. Phys. Lett. , vol.269 , pp. 428
- Hättig, C.¹ Cristiansen, O.² Koch, H.³ Jørgensen, P.⁴

123
- 33847538473
- S.P. Karna, M. Dupuis, E. Perrin, P.N. Prasad, J. Chem. Phys. 92 (1990) 7418.
- (1990) J. Chem. Phys. , vol.92 , pp. 7418
- Karna, S.P.¹ Dupuis, M.² Perrin, E.³ Prasad, P.N.⁴

124
- 0042958905
- A. Hinchliffe, H.J. Soscún, J. Mol. Struct. (Theochem) 109 (1994) 304.
- (1994) J. Mol. Struct. (Theochem) , vol.109 , pp. 304
- Hinchliffe, A.¹ Soscún, H.J.²

125
- 0037633045
- D.W. Robinson, H. Abdel-Halim, S. Inoue, M. Kimura, D.O. Cowan, J. Chem. Phys. 90 (1989) 3427.
- (1989) J. Chem. Phys. , vol.90 , pp. 3427
- Robinson, D.W.¹ Abdel-Halim, H.² Inoue, S.³ Kimura, M.⁴ Cowan, D.O.⁵

126
- 0000884864
- M. Blenkle, P. Boldt, C. Brauchle, W. Grahn, I. Ledoux, H. Nerenz, S. Stadler, J. Wichern, J. Zyss, J. Chem. Soc., Perkin Trans. 2 (1996) 1377.
- (1996) J. Chem. Soc., Perkin Trans. , vol.2 , pp. 1377
- Blenkle, M.¹ Boldt, P.² Brauchle, C.³ Grahn, W.⁴ Ledoux, I.⁵ Nerenz, H.⁶ Stadler, S.⁷ Wichern, J.⁸ Zyss, J.⁹

127
- 33845280208
- D. Li, M.A. Ratner, T.J. Marks, J. Am. Chem. Soc. 110 (1988) 1707.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 1707
- Li, D.¹ Ratner, M.A.² Marks, T.J.³

128
- 0041957339
- unpublished results
- S. Millefiori, A. Alparone, unpublished results.
- Millefiori, S.¹ Alparone, A.²

129
- 0009910076
- M. Barzoukas, D. Josse, J. Zyss, P. Gordon, J.O. Morley, Chem. Phys. 139 (1989) 359.
- (1989) Chem. Phys. , vol.139 , pp. 359
- Barzoukas, M.¹ Josse, D.² Zyss, J.³ Gordon, P.⁴ Morley, J.O.⁵

130
- 0001233345
- L. Serrano-Andrés, M. Merchant, I. Nebot-Gil, B.O. Roos, M. Fülscher, J. Am. Chem. Soc. 115 (1993) 6184.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 6184
- Serrano-Andrés, L.¹ Merchant, M.² Nebot-Gil, I.³ Roos, B.O.⁴ Fülscher, M.⁵

131
- 0000596576
- K.T. No, K.H. Cho, M.S. Jhon, H.A. Sheraga, J. Am. Chem. Soc. 115 (1993) 2005.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 2005
- No, K.T.¹ Cho, K.H.² Jhon, M.S.³ Sheraga, H.A.⁴

132
- 0030597641
- T. Sugino, N. Kambe, N. Sonoda, T. Sagaguchi, K. Ohta, Chem. Phys. Lett. 251 (1996) 125.
- (1996) Chem. Phys. Lett. , vol.251 , pp. 125
- Sugino, T.¹ Kambe, N.² Sonoda, N.³ Sagaguchi, T.⁴ Ohta, K.⁵

133
- 0000379599
- P.v.R. Schleyer, Pure Appl. Chem. 68 (1996) 209.
- (1996) Pure Appl. Chem. , vol.68 , pp. 209
- Schleyer, P.V.R.¹

134
- 3343002793
- L.-T. Cheng, W. Tam, S.R. Marder, A.E. Steigman, G. Rikken, C.W. Spangler, J. Phys. Chem. 95 (1991) 10643.
- (1991) J. Phys. Chem. , vol.95 , pp. 10643
- Cheng, L.-T.¹ Tam, W.² Marder, S.R.³ Steigman, A.E.⁴ Rikken, G.⁵ Spangler, C.W.⁶

135
- 37049079090
- B.G. Tiemann, L.-T. Cheng, S.R. Marder, J. Chem Soc. Chem. Commun. (1993) 735.
- (1993) J. Chem Soc. Chem. Commun. , pp. 735
- Tiemann, B.G.¹ Cheng, L.-T.² Marder, S.R.³

136
- 0028423566
- K.Y. Wong, A.K.-Y. Jen, P.V. Rao, K.J. Drost, J. Chem. Phys. 100 (1994) 6818.
- (1994) J. Chem. Phys. , vol.100 , pp. 6818
- Wong, K.Y.¹ Jen, A.K.-Y.² Rao, P.V.³ Drost, K.J.⁴

137
- 0042457899
- M.M. Campos-Vallette, C. Calvijo, Spectrosc. Lett. 78 (1985) 759.
- (1985) Spectrosc. Lett. , vol.78 , pp. 759
- Campos-Vallette, M.M.¹ Calvijo, C.²

138
- 0011190497
- P.v.R. Schleyer, C. Maerker, A. Dransfeld, H. Jiao, N.J.R.V.E. Hommes, J. Am. Chem. Soc. 118 (1996) 6317.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 6317
- Schleyer, P.V.R.¹ Maerker, C.² Dransfeld, A.³ Jiao, H.⁴ Hommes, N.J.R.V.E.⁵

139
- 0030445094
- H. Jiao, P.v.R. Schleyer, Angew. Chem. Int. Ed. Engl. 35 (1996) 2383.
- (1996) Angew. Chem. Int. Ed. Engl. , vol.35 , pp. 2383
- Jiao, H.¹ Schleyer, P.V.R.²

140
- 0030457576
- G. Subramanian, P.v.R. Schleyer, H. Jiao, Angew. Chem. Int. Ed. Engl. 35 (1996) 2638.
- (1996) Angew. Chem. Int. Ed. Engl. , vol.35 , pp. 2638
- Subramanian, G.¹ Schleyer, P.V.R.² Jiao, H.³

141
- 1542559016
- B. Bernardi, A. Bottoni, A. Venturini, J. Mol. Struct. (Theochem) 163 (1977) 173.
- (1977) J. Mol. Struct. (Theochem) , vol.163 , pp. 173
- Bernardi, B.¹ Bottoni, A.² Venturini, A.³

142
- 0000239121
- Diamagnetic susceptibility exaltation as a criterion of aromaticity
- J.P. Snyder (Ed.), Academic Press. New York
- H.B. Dauben, Jr, J.D. Wilson, J.L. Laity, Diamagnetic susceptibility exaltation as a criterion of aromaticity, in: Non-benzenoid Aromatics, J.P. Snyder (Ed.), Academic Press. New York, 1971, Vol. II.
- (1971) Non-benzenoid Aromatics , vol.2
- Dauben H.B., Jr.¹ Wilson, J.D.² Laity, J.L.³

143
- 0001354699
- Z. Zhou, R.G. Parr, Tetrahedron Lett. 29 (1988) 4843.
- (1988) Tetrahedron Lett. , vol.29 , pp. 4843
- Zhou, Z.¹ Parr, R.G.²

144
- 0347136120
- Z. Zhou, R.G. Parr, J. Am. Chem. Soc. 111 (1989) 7371.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 7371
- Zhou, Z.¹ Parr, R.G.²

145
- 0347291894
- R.G. Parr, R.G. Pearson, J. Am. Chem. Soc. 64 (1983) 7512.
- (1983) J. Am. Chem. Soc. , vol.64 , pp. 7512
- Parr, R.G.¹ Pearson, R.G.²

146
- 0039644132
- R.G. Parr, J.L. Gazquez, J. Phys. Chem. 97 (1993) 3939.
- (1993) J. Phys. Chem. , vol.97 , pp. 3939
- Parr, R.G.¹ Gazquez, J.L.²

147
- 0003428857
- K.D. Sen, D.M.P. Mingos (Eds), Springer, Berlin
- P.K. Chattaray, R.G. Parr, in: Chemical Hardness. Structure and Bonding, K.D. Sen, D.M.P. Mingos (Eds), Springer, Berlin, 1993, Vol. 80.
- (1993) Chemical Hardness. Structure and Bonding , vol.80
- Chattaray, P.K.¹ Parr, R.G.²

148
- 0011265732
- G. Distefano, S. Pignataro, G. Innorta, F. Fringuelli, G. Marino, A. Taticchi, Chem. Phys. Lett. 22 (1973) 132.
- (1973) Chem. Phys. Lett. , vol.22 , pp. 132
- Distefano, G.¹ Pignataro, S.² Innorta, G.³ Fringuelli, F.⁴ Marino, G.⁵ Taticchi, A.⁶

149
- 37049131548
- W. Schaefer, A. Schweig, S. Gronowitz, A. Taticchi, F. Fringuelli, J. Chem. Soc., Chem. Commun. 1 (1973) 541.
- (1973) J. Chem. Soc., Chem. Commun. , vol.1 , pp. 541
- Schaefer, W.¹ Schweig, A.² Gronowitz, S.³ Taticchi, A.⁴ Fringuelli, F.⁵

150
- 37049104460
- F. Fringuelli, G. Marino, A. Taticchi, F.P. Colonna, G. Distefano, S. Pignataro, J. Chem. Soc. Perkin Trans. 2 (1976) 276.
- (1976) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 276
- Fringuelli, F.¹ Marino, G.² Taticchi, A.³ Colonna, F.P.⁴ Distefano, G.⁵ Pignataro, S.⁶

151
- 0000532262
- A. Modelli, D. Jones, G. Distefano, K.J. Irgolich, K. French. G. Pappalardo, Chem. Phys. 88 (1984) 455.
- (1984) Chem. Phys. , vol.88 , pp. 455
- Modelli, A.¹ Jones, D.² Distefano, G.³ Irgolich, K.J.⁴ French, K.⁵ Pappalardo, G.⁶

152
- 37049109377
- G. Varsányi, L. Nyulászi, T.T. Veszpremi, J. Chem. Soc. Perkin Trans. 2 (1982) 761.
- (1982) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 761
- Varsányi, G.¹ Nyulászi, L.² Veszpremi, T.T.³

153
- 0016471522
- J.L. Oudar, D.S. Chemla, Opt. Commun. 13 (1975) 164.
- (1975) Opt. Commun. , vol.13 , pp. 164
- Oudar, J.L.¹ Chemla, D.S.²

154
- 0003545308
- Wiley, New York
- P.N. Prasad, D.J. Williams, Introduction to Nonlinear Optical Effects in Molecules and Polymers, Wiley, New York, 1991.
- (1991) Introduction to Nonlinear Optical Effects in Molecules and Polymers
- Prasad, P.N.¹ Williams, D.J.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.