SCOPUS 정보 검색 플랫폼

Volumn 1, Issue , 2012, Pages 593-642

AB Initio Electronic Circular Dichroism and Optical Rotatory Dispersion: From Organic Molecules to Transition Metal Complexes

(1) Autschbach, Jochen a

a UNIVERSITY AT BUFFALO (United States)

Author keywords

AB initio electronic CD; Optical rotatory dispersion; Organic, to transition metal complexes

Indexed keywords

EID: 84869397802 PISSN: None EISSN: None Source Type: Book
DOI: 10.1002/9781118120187.ch21 Document Type: Chapter

Times cited : (47)

References (192)

1
- 0003976534
- 2nd ed., Cambridge University Press, New York
- L. D. Barron, Molecular Light Scattering and Optical Activity, 2nd ed., Cambridge University Press, New York, 2004.
- (2004) Molecular Light Scattering and Optical Activity
- Barron, L.D.¹

2
- 0003546549
- 2nd ed., VCH, New York
- N. Berova, K. Nakanishi, R. W. Woody, eds., Circular Dichroism. Principles and Applications, 2nd ed., VCH, New York, 2000.
- (2000) Circular Dichroism. Principles and Applications
- Berova, N.¹ Nakanishi, K.² Woody, R.W.³

3
- 0037122053
- M. Quack, Angew. Chem. Int. Edit. 2002, 41 , 4618-4630.
- (2002) Angew. Chem. Int. Edit. , vol.41 , pp. 4618-4630
- Quack, M.¹

4
- 33645158250
- E. Zavattini, G. Zavattini, G. Ruoso, E. Polacco, E. Milotti, M. Karuza, U. Gastaldi, G. Di Domenico, F. Della Valle, R. Cimino, S. Carusotto, G. Cantatore, M. Bregant, Phys. Rev. Lett . 2006, 96 , 110406-5.
- (2006) Phys. Rev. Lett . , vol.96 , pp. 110406-5
- Zavattini, E.¹ Zavattini, G.² Ruoso, G.³ Polacco, E.⁴ Milotti, E.⁵ Karuza, M.⁶ Gastaldi, U.⁷ Di Domenico, G.⁸ Della Valle, F.⁹ Cimino, R.¹⁰ Carusotto, S.¹¹ Cantatore, G.¹² Bregant, M.¹³

5
- 84902220478
- Elsevier, Oxford
- G. Pályi, C. Zucchi, L. Caglioti, eds., Progress in Biological Chirality, Elsevier, Oxford, 2004.
- (2004) Progress in Biological Chirality
- Pályi, G.¹ Zucchi, C.² Caglioti, L.³

6
- 62649116428
- P. H. Vaccaro, Nature 2009, 458 , 289-290.
- (2009) Nature , vol.458 , pp. 289-290
- Vaccaro, P.H.¹

7
- 0032545216
- R. K. Kondru, P. Wipf, D. N. Beratan, Science 1998, 282 , 2247-2250.
- (1998) Science , vol.282 , pp. 2247-2250
- Kondru, R.K.¹ Wipf, P.² Beratan, D.N.³

8
- 77952840800
- J. Autschbach, Chirality 2010, 21 , E116-E152.
- (2010) Chirality , vol.21
- Autschbach, J.¹

9
- 30344460106
- in Advances in Quantum Chemistry, Vol. 50 , Elsevier, San Diego
- M. Pecul, K. Ruud, The ab initio calculation of optical rotation and electronic circular dichroism, in Advances in Quantum Chemistry, Vol. 50 , Elsevier, San Diego, 2005, pp. 185-212.
- (2005) The ab initio calculation of optical rotation and electronic circular dichroism , pp. 185-212
- Pecul, M.¹ Ruud, K.²

10
- 33645726133
- T. D. Crawford, Theor. Chem. Acc. 2006, 115 , 227-245.
- (2006) Theor. Chem. Acc. , vol.115 , pp. 227-245
- Crawford, T.D.¹

11
- 34247242120
- P. L. Polavarapu, Chem. Rec. 2007, 7 , 125-136.
- (2007) Chem. Rec. , vol.7 , pp. 125-136
- Polavarapu, P.L.¹

12
- 0036034678
- P. L. Polavarapu, Chirality 2002, 14 , 768-781.
- (2002) Chirality , vol.14 , pp. 768-781
- Polavarapu, P.L.¹

13
- 66449100339
- G. Bringmann, T. Bruhn, K. Maksimenka, Y. Hemberger, Eur. J. Org. Chem. 2009, 2717-2727.
- (2009) Eur. J. Org. Chem. , pp. 2717-2727
- Bringmann, G.¹ Bruhn, T.² Maksimenka, K.³ Hemberger, Y.⁴

14
- 34249686052
- N. Berova, L. Di Bari, G. Pescitelli, Chem. Soc. Rev. 2007, 36 , 914-931.
- (2007) Chem. Soc. Rev. , vol.36 , pp. 914-931
- Berova, N.¹ Di Bari, L.² Pescitelli, G.³

15
- 0041663820
- P. J. Stephens, F. J. Devlin, J. R. Cheeseman, M. J. Frisch, O. Bortolini, P. Besse, Chirality 2003, 15 , S57-S64.
- (2003) Chirality , vol.15
- Stephens, P.J.¹ Devlin, F.J.² Cheeseman, J.R.³ Frisch, M.J.⁴ Bortolini, O.⁵ Besse, P.⁶

16
- 18744367658
- P. J. Stephens, D. M. McCann, J. R. Cheeseman, M. J. Frisch, Chirality 2005, 17 , S52-S64.
- (2005) Chirality , vol.17
- Stephens, P.J.¹ McCann, D.M.² Cheeseman, J.R.³ Frisch, M.J.⁴

17
- 67649183444
- P. Mukhopadhyay, P. Wipf, D. N. Beratan, Acc. Chem. Res. 2009, 42 , 809-819.
- (2009) Acc. Chem. Res. , vol.42 , pp. 809-819
- Mukhopadhyay, P.¹ Wipf, P.² Beratan, D.N.³

18
- 79951815559
- J. Autschbach, L. Nitsch-Velasquez, M. Rudolph, Top. Curr. Chem. 2011, 298 , 1-98.
- (2011) Top. Curr. Chem. , vol.298 , pp. 1-98
- Autschbach, J.¹ Nitsch-Velasquez, L.² Rudolph, M.³

19
- 34250911946
- L. Rosenfeld, Z. Phys. 1928, 52 , 161-168.
- (1928) Z. Phys. , vol.52 , pp. 161-168
- Rosenfeld, L.¹

20
- 1542776405
- E. U. Condon, Rev. Mod. Phys. 1937, 9 , 432-457.
- (1937) Rev. Mod. Phys. , vol.9 , pp. 432-457
- Condon, E.U.¹

21
- 0004236128
- Academic Press, New York
- W. Kauzmann, Quantum Chemistry, Academic Press, New York, 1957.
- (1957) Quantum Chemistry
- Kauzmann, W.¹

22
- 0001478278
- A. Moscowitz, Adv. Chem. Phys. 1962, 4 , 67-112.
- (1962) Adv. Chem. Phys. , vol.4 , pp. 67-112
- Moscowitz, A.¹

23
- 0003755966
- McGraw-Hill, New York
- C. Djerassi, Optical Rotatory Dispersion, McGraw-Hill, New York, 1960.
- (1960) Optical Rotatory Dispersion
- Djerassi, C.¹

24
- 0003524757
- Wiley-Interscience, New York
- D. J. Caldwell, H. Eyring, The Theory of Optical Activity, Wiley-Interscience, New York, 1971.
- (1971) The Theory of Optical Activity
- Caldwell, D.J.¹ Eyring, H.²

25
- 20544447889
- in Circular Dichroism: Principles and Applications, 2nd ed. N. Berova, K. Nakanishi, and R. W. Woody, eds., VCH, New York
- R. Kuroda, Y. Saito, circular dichroism of inorganic complexes: Interpretation and applications, in Circular Dichroism: Principles and Applications, 2nd ed. N. Berova, K. Nakanishi, and R. W. Woody, eds., VCH, New York, 2000, pp. 563-599.
- (2000) Circular dichroism of inorganic complexes: Interpretation and applications , pp. 563-599
- Kuroda, R.¹ Saito, Y.²

26
- 0000662541
- A. E. Hansen, T. D. Bouman, Adv. Chem. Phys. 1980, 44 , 545-644.
- (1980) Adv. Chem. Phys. , vol.44 , pp. 545-644
- Hansen, A.E.¹ Bouman, T.D.²

27
- 37049084452
- T. Helgaker, K. Ruud, K. L. Bak, P. Jørgensen, J. Olsen, Faraday Discuss. 1994, 99 , 165-180.
- (1994) Faraday Discuss. , vol.99 , pp. 165-180
- Helgaker, T.¹ Ruud, K.² Bak, K.L.³ Jørgensen, P.⁴ Olsen, J.⁵

28
- 0001684860
- K. D. Bak, A. E. Hansen, K. Ruud, T. Helgaker, J. Olsen, P. Jørgensen, Theor. Chim. Acta 1995, 90 , 441-458.
- (1995) Theor. Chim. Acta , vol.90 , pp. 441-458
- Bak, K.D.¹ Hansen, A.E.² Ruud, K.³ Helgaker, T.⁴ Olsen, J.⁵ Jørgensen, P.⁶

29
- 34250786582
- J. Autschbach, Coord. Chem. Rev. 2007, 251 , 1796-1821.
- (2007) Coord. Chem. Rev. , vol.251 , pp. 1796-1821
- Autschbach, J.¹

30
- 0003569570
- Oxford University Press, New York
- R. G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989.
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

31
- 0018354284
- H.-G. Kuball, M. Acimis, J. Altschuh, J. Am. Chem. Soc. 1979, 101 , 20-27.
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 20-27
- Kuball, H.-G.¹ Acimis, M.² Altschuh, J.³

32
- 0001982442
- Chapter 5
- H.-G. Kuball, T. Höfer, Cirlcular dichroism of oriented molecules, in Circular Dichroism. Principles and Applications, N. Berova, K. Nakanishi, and R. W. Woody, eds., VCH, 2000, Chapter 5, pp. 133-158.
- (2000) Cirlcular dichroism of oriented molecules, in Circular Dichroism. Principles and Applications, N. Berova, K. Nakanishi, and R. W. Woody, eds., VCH, , pp. 133-158
- Kuball, H.-G.¹ Höfer, T.²

33
- 0038297116
- H.-G. Kuball, Enantiomer 2002, 7 , 197-205.
- (2002) Enantiomer , vol.7 , pp. 197-205
- Kuball, H.-G.¹

34
- 36149028462
- J. R. L. Moxon, A. R. Renshaw, J. Phys. Condens. Matter 1990, 2 , 6807-6836.
- (1990) J. Phys. Condens. Matter , vol.2 , pp. 6807-6836
- Moxon, J.R.L.¹ Renshaw, A.R.²

35
- 0026186795
- J. R. L. Moxon, A. R. Renshaw, I. J. Tebbutt, J. Phys. D. Appl. Phys. 1991, 24 , 1187-1192.
- (1991) J. Phys. D. Appl. Phys. , vol.24 , pp. 1187-1192
- Moxon, J.R.L.¹ Renshaw, A.R.² Tebbutt, I.J.³

36
- 0030402503
- W. Kaminsky, A. M. Glazer, Ferroelectrics 1996, 183 , 133-141.
- (1996) Ferroelectrics , vol.183 , pp. 133-141
- Kaminsky, W.¹ Glazer, A.M.²

37
- 33845211973
- K. Claborn, J. Herreros Cedres, C. Isborn, A. Zozulya, E. Weckert, W. Kaminsky, B. Kahr, J. Am. Chem. Soc. 2006, 128 , 14746-14747.
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 14746-14747
- Claborn, K.¹ Herreros, J.² Cedres Isborn, C.³ Zozulya, A.⁴ Weckert, E.⁵ Kaminsky, W.⁶ Kahr, B.⁷

38
- 53649099524
- K. Claborn, C. Isborn, W. Kaminsky, B. Kahr, Angew. Chem. Int. Edit. 2008, 47 , 5706-5717.
- (2008) Angew. Chem. Int. Edit. , vol.47 , pp. 5706-5717
- Claborn, K.¹ Isborn, C.² Kaminsky, W.³ Kahr, B.⁴

39
- 33847176338
- J. A. Schellman, Chem. Rev. 1975, 75 , 323-331.
- (1975) Chem. Rev. , vol.75 , pp. 323-331
- Schellman, J.A.¹

40
- 0003895523
- 2nd ed., Academic Press, London
- R. McWeeny, Methods of Molecular Quantum Mechanics, 2nd ed., Academic Press, London, 1992.
- (1992) Methods of Molecular Quantum Mechanics
- McWeeny, R.¹

41
- 12944320003
- S. F. O'Shea, D. P. Santry, Theor. Chim. Acta 1975, 37 , 1-16.
- (1975) Theor. Chim. Acta , vol.37 , pp. 1-16
- O'Shea, S.F.¹ Santry, D.P.²

42
- 4243247295
- D. P. Santry, Chem. Phys. Lett . 1979, 61 , 417-420.
- (1979) Chem. Phys. Lett . , vol.61 , pp. 417-420
- Santry, D.P.¹

43
- 25344459257
- D. P. Santry, T. E. Raidy, Chem. Phys. Lett. 1979, 61 , 413-416.
- (1979) Chem. Phys. Lett. , vol.61 , pp. 413-416
- Santry, D.P.¹ Raidy, T.E.²

44
- 0006086299
- J.-H. Pao, D. P. Santry, J. Am. Chem. Soc. 1966, 88 , 4157-4163.
- (1966) J. Am. Chem. Soc. , vol.88 , pp. 4157-4163
- Pao, J.-H.¹ Santry, D.P.²

45
- 0000344666
- K. Sasagane, F. Aiga, R. Itoh, J. Chem. Phys. 1993, 99 , 3738-3778.
- (1993) J. Chem. Phys. , vol.99 , pp. 3738-3778
- Sasagane, K.¹ Aiga, F.² Itoh, R.³

46
- 0000488610
- O. Christiansen, C. Hättig, J. Gauss, J. Chem. Phys. 1998, 109 , 4745-4757.
- (1998) J. Chem. Phys. , vol.109 , pp. 4745-4757
- Christiansen, O.¹ Hättig, C.² Gauss, J.³

47
- 0001741919
- F. Aiga, T. Tada, R. Yoshimura, J. Chem. Phys. 1999, 111 , 2878-2888.
- (1999) J. Chem. Phys. , vol.111 , pp. 2878-2888
- Aiga, F.¹ Tada, T.² Yoshimura, R.³

48
- 33644906766
- M. Krykunov, J. Autschbach, J. Chem. Phys. 2005, 123 , 114103-114110.
- (2005) J. Chem. Phys. , vol.123 , pp. 114103-114110
- Krykunov, M.¹ Autschbach, J.²

49
- 0030570285
- R. Bauernschmitt, R. Ahlrichs, Chem. Phys. Lett. 1996, 256 , 454-464.
- (1996) Chem. Phys. Lett. , vol.256 , pp. 454-464
- Bauernschmitt, R.¹ Ahlrichs, R.²

50
- 0032533083
- R. E. Stratmann, G. E. Scuseria, M. J. Frisch, J. Chem. Phys. 1998, 109 , 8218-8224.
- (1998) J. Chem. Phys. , vol.109 , pp. 8218-8224
- Stratmann, R.E.¹ Scuseria, G.E.² Frisch, M.J.³

51
- 0000453730
- S. Hirata, M. Head-Gordon, R. J. Bartlett, J. Chem. Phys. 1999, 111 , 10774-10786.
- (1999) J. Chem. Phys. , vol.111 , pp. 10774-10786
- Hirata, S.¹ Head-Gordon, M.² Bartlett, R.J.³

52
- 40749094858
- R. Ditchfield, Mol. Phys. 1974, 27 , 789-807.
- (1974) Mol. Phys. , vol.27 , pp. 789-807
- Ditchfield, R.¹

53
- 33746297347
- M. Krykunov, J. Autschbach, J. Chem. Phys. 2006, 125 , 034102-034110.
- (2006) J. Chem. Phys. , vol.125 , pp. 034102-034110
- Krykunov, M.¹ Autschbach, J.²

54
- 55349114341
- A. J. Thorvaldsen, K. Ruud, A. Rizzo, S. Coriani, J Chem Phys 2008, 129 , 164110.
- (2008) J Chem Phys , vol.129 , pp. 164110
- Thorvaldsen, A.J.¹ Ruud, K.² Rizzo, A.³ Coriani, S.⁴

55
- 3242889162
- T. B. Pedersen, H. Koch, L. Boman, A. M. J. Sánchez de Merás, Chem. Phys. Lett. 2004, 393 , 319-326.
- (2004) Chem. Phys. Lett. , vol.393 , pp. 319-326
- Pedersen, T.B.¹ Koch, H.² Boman, L.³ Sánchez de Merás, A.M.J.⁴

56
- 33846233082
- M. Krykunov, J. Autschbach, J. Chem. Phys. 2007, 126 , 024101-024112.
- (2007) J. Chem. Phys. , vol.126 , pp. 024101-024112
- Krykunov, M.¹ Autschbach, J.²

57
- 0003576519
- Addison- Wesley, Reading, MA
- F. W. Byron, R. W. Fuller, The Mathematics of Classical and Quantum Physics, Addison- Wesley, Reading, MA, 1969.
- (1969) The Mathematics of Classical and Quantum Physics
- Byron, F.W.¹ Fuller, R.W.²

58
- 24344438201
- P. Polavarapu, J. Phys. Chem. A 2005, 109 , 7013-7023.
- (2005) J. Phys. Chem. A , vol.109 , pp. 7013-7023
- Polavarapu, P.¹

59
- 60149099839
- M. Rudolph, J. Autschbach, Chirality 2008, 20 , 995-1008.
- (2008) Chirality , vol.20 , pp. 995-1008
- Rudolph, M.¹ Autschbach, J.²

60
- 0014448179
- P. M. Bayley, E. B. Nielsen, J. A. Schellmann, J. Phys. Chem. 1969, 73 , 228-243.
- (1969) J. Phys. Chem. , vol.73 , pp. 228-243
- Bayley, P.M.¹ Nielsen, E.B.² Schellmann, J.A.³

61
- 26844484546
- B. C. Mort, J. Autschbach, J. Phys. Chem. A 2005, 109 , 8617-8623.
- (2005) J. Phys. Chem. A , vol.109 , pp. 8617-8623
- Mort, B.C.¹ Autschbach, J.²

62
- 33750308534
- B. C. Mort, J. Autschbach, J. Phys. Chem. A 2006, 110 , 11381-11383.
- (2006) J. Phys. Chem. A , vol.110 , pp. 11381-11383
- Mort, B.C.¹ Autschbach, J.²

63
- 33947230646
- B. C. Mort, J. Autschbach, Chem. Phys. Chem. 2007, 8 , 605-616.
- (2007) Chem. Phys. Chem. , vol.8 , pp. 605-616
- Mort, B.C.¹ Autschbach, J.²

64
- 38349003047
- B. C. Mort, J. Autschbach, Chem. Phys. Chem. 2008, 9 , 159-170.
- (2008) Chem. Phys. Chem. , vol.9 , pp. 159-170
- Mort, B.C.¹ Autschbach, J.²

65
- 33750044880
- in Reviews in Computational Chemistry, Vol. 20, K. B. Lipkowitz, R. Larter, and T. R. Cundari, eds., John Wiley & Sons, Hoboken, NJ
- S. Grimme, Calculation of the electronic spectra of large molecules, in Reviews in Computational Chemistry, Vol. 20, K. B. Lipkowitz, R. Larter, and T. R. Cundari, eds., John Wiley & Sons, Hoboken, NJ, 2004, pp. 153-218.
- (2004) Calculation of the electronic spectra of large molecules , pp. 153-218
- Grimme, S.¹

66
- 1842588294
- M. Dierksen, S. Grimme, J. Chem. Phys. 2004, 120 , 3544-3554.
- (2004) J. Chem. Phys. , vol.120 , pp. 3544-3554
- Dierksen, M.¹ Grimme, S.²

67
- 22644443140
- M. Dierksen, S. Grimme, J. Chem. Phys. 2005, 122 , 244101-244109.
- (2005) J. Chem. Phys. , vol.122 , pp. 244101-244109
- Dierksen, M.¹ Grimme, S.²

68
- 23344444742
- J. Neugebauer, E. J. Baerends, M. Nooijen, J. Autschbach, J. Chem. Phys. 2005, 122 , 234305-234307.
- (2005) J. Chem. Phys. , vol.122 , pp. 234305-234307
- Neugebauer, J.¹ Baerends, E.J.² Nooijen, M.³ Autschbach, J.⁴

69
- 77954972906
- B. Pritchard, J. Autschbach, Chem. Phys. Chem. 2010, 11 , 2409-2415.
- (2010) Chem. Phys. Chem. , vol.11 , pp. 2409-2415
- Pritchard, B.¹ Autschbach, J.²

70
- 57949095711
- N. Lin, F. Santoro, X. Zhao, A. Rizzo, V. Barone, J. Phys. Chem. A 2008, 112 , 12401-12411.
- (2008) J. Phys. Chem. A , vol.112 , pp. 12401-12411
- Lin, N.¹ Santoro, F.² Zhao, X.³ Rizzo, A.⁴ Barone, V.⁵

71
- 53549119932
- N. Lin, Y. Luo, F. Santoro, X. Zhao, A. Rizzo, Chem. Phys. Lett. 2008, 464 , 144-149.
- (2008) Chem. Phys. Lett. , vol.464 , pp. 144-149
- Lin, N.¹ Luo, Y.² Santoro, F.³ Zhao, X.⁴ Rizzo, A.⁵

72
- 0034301458
- C. Hättig, F. Weigend, J. Chem. Phys. 2000, 113 , 5154-5161.
- (2000) J. Chem. Phys. , vol.113 , pp. 5154-5161
- Hättig, C.¹ Weigend, F.²

73
- 84961983540
- J. Kongsted, T. B. Pedersen, M. Strange, A. Osted, A. E. Hansen, K. V. Mikkelsen, F. Pawlowski, P. Jorgensen, C. Hattig, Chem. Phys. Lett. 2005, 401 , 385-392.
- (2005) Chem. Phys. Lett. , vol.401 , pp. 385-392
- Kongsted, J.¹ Pedersen, T.B.² Strange, M.³ Osted, A.⁴ Hansen, A.E.⁵ Mikkelsen, K.V.⁶ Pawlowski, F.⁷ Jorgensen, P.⁸ Hattig, C.⁹

74
- 0037146743
- T. D. Crawford, R. A. King, Chem. Phys. Lett. 2002, 366 , 611-622.
- (2002) Chem. Phys. Lett. , vol.366 , pp. 611-622
- Crawford, T.D.¹ King, R.A.²

75
- 13444253896
- T. D. Crawford, L. S. Owens, M. C. Tam, P. R. Schreiner, H. Koch, J. Am. Chem. Soc. 2005, 127 , 1368-1369.
- (2005) J. Am. Chem. Soc. , vol.127 , pp. 1368-1369
- Crawford, T.D.¹ Owens, L.S.² Tam, M.C.³ Schreiner, P.R.⁴ Koch, H.⁵

76
- 2542450086
- Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai, K. Hirao, J. Chem. Phys. 2004, 120 , 8425-8433.
- (2004) J. Chem. Phys. , vol.120 , pp. 8425-8433
- Tawada, Y.¹ Tsuneda, T.² Yanagisawa, S.³ Yanai, T.⁴ Hirao, K.⁵

77
- 3142771297
- T. Yanai, D. P. Tew, N. C. Handy, Chem. Phys. Lett. 2004, 393 , 51-57.
- (2004) Chem. Phys. Lett. , vol.393 , pp. 51-57
- Yanai, T.¹ Tew, D.P.² Handy, N.C.³

78
- 34250178759
- E. Livshits, R. Baer, Phys. Chem. Chem. Phys. 2007, 9 , 2932-2941.
- (2007) Phys. Chem. Chem. Phys. , vol.9
- Livshits, E.¹ Baer, R.²

79
- 38849133661
- M. J. G. Peach, P. Benfield, T. Helgaker, D. J. Tozer, J. Chem. Phys. 2008, 128 , 044118.
- (2008) J. Chem. Phys. , vol.128 , pp. 044118
- Peach, M.J.G.¹ Benfield, P.² Helgaker, T.³ Tozer, D.J.⁴

80
- 67749120522
- T. Stein, L. Kronik, R. Baer, J. Am. Chem. Soc. 2009, 131 , 2818-2820.
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 2818-2820
- Stein, T.¹ Kronik, L.² Baer, R.³

81
- 77954756779
- J. Autschbach, Chem. Phys. Chem. 2009, 10, 1-5.
- (2009) Chem. Phys. Chem. , vol.10 , pp. 1-5
- Autschbach, J.¹

82
- 60549097752
- L. Goerigk, S. Grimme, J. Phys. Chem. A 2009, 113 , 767-776.
- (2009) J. Phys. Chem. A , vol.113 , pp. 767-776
- Goerigk, L.¹ Grimme, S.²

83
- 0034090652
- F. Furche, R. Ahlrichs, C. Wachsmann, E. Weber, A. Sobanski, F. Vögtle, S. Grimme, J. Am. Chem. Soc. 2000, 122 , 1717-1724.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 1717-1724
- Furche, F.¹ Ahlrichs, R.² Wachsmann, C.³ Weber, E.⁴ Sobanski, A.⁵ Vögtle, F.⁶ Grimme, S.⁷

84
- 0006771891
- I. J. Tinoco, R. W. Woody, J. Chem. Phys. 1964, 40 , 160-165.
- (1964) J. Chem. Phys. , vol.40 , pp. 160-165
- Tinoco, I.J.¹ Woody, R.W.²

85
- 33947089753
- D. A. Lightner, D. T. Hefelfinger, T. W. Powers, G. W. Frank, K. N. Trueblood, J. Am. Chem. Soc. 1972, 94 , 3492-3497.
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 3492-3497
- Lightner, D.A.¹ Hefelfinger, D.T.² Powers, T.W.³ Frank, G.W.⁴ Trueblood, K.N.⁵

86
- 37049142163
- W. S. Brickell, A. Brown, C. M. Kemp, S. F. Mason, J. Chem. Soc. (A) 1971, 756-760.
- (1971) J. Chem. Soc. (A) , pp. 756-760
- Brickell, W.S.¹ Brown, A.² Kemp, C.M.³ Mason, S.F.⁴

87
- 0037156098
- J. Autschbach, T. Ziegler, S. J. A. van Gisbergen, E. J. Baerends, J. Chem. Phys. 2002, 116 , 6930-6940.
- (2002) J. Chem. Phys. , vol.116 , pp. 6930-6940
- Autschbach, J.¹ Ziegler, T.² van Gisbergen, S.J.A.³ Baerends, E.J.⁴

88
- 44749090888
- D. Shcherbin, K. Ruud, Chem. Phys. 2008, 349 , 234.
- (2008) Chem. Phys. , vol.349 , pp. 234
- Shcherbin, D.¹ Ruud, K.²

89
- 84962476313
- P. J. Stephens, F. J. Devlin, J. R. Cheeseman, M. J. Frisch, J. Phys. Chem. A 2001, 105 , 5356-5371.
- (2001) J. Phys. Chem. A , vol.105 , pp. 5356-5371
- Stephens, P.J.¹ Devlin, F.J.² Cheeseman, J.R.³ Frisch, M.J.⁴

90
- 0000001360
- S. Grimme, Chem. Phys. Lett . 2001, 339 , 380-388.
- (2001) Chem. Phys. Lett . , vol.339 , pp. 380-388
- Grimme, S.¹

91
- 0037043411
- J. Autschbach, T. Ziegler, S. Patchkovskii, S. J. A. van Gisbergen, E. J. Baerends, J. Chem. Phys. 2002, 117 , 581-592.
- (2002) J. Chem. Phys. , vol.117 , pp. 581-592
- Autschbach, J.¹ Ziegler, T.² Patchkovskii, S.³ van Gisbergen, S.J.A.⁴ Baerends, E.J.⁵

92
- 0037508556
- K. Ruud, P. J. Stephens, F. J. Devlin, P. R. Taylor, J. R. Cheeseman, M. J. Frisch, Chem. Phys. Lett . 2003, 373 , 606-614.
- (2003) Chem. Phys. Lett . , vol.373 , pp. 606-614
- Ruud, K.¹ Stephens, P.J.² Devlin, F.J.³ Taylor, P.R.⁴ Cheeseman, J.R.⁵ Frisch, M.J.⁶

93
- 33644784073
- M. C. Tam, T. D. Crawford, J. Phys. Chem. A 2006, 110 , 2290-2298.
- (2006) J. Phys. Chem. A , vol.110 , pp. 2290-2298
- Tam, M.C.¹ Crawford, T.D.²

94
- 37249073463
- T. D. Crawford, M. C. Tam, M. L. Abrams, J. Phys. Chem. A 2007, 111 , 12057-12068.
- (2007) J. Phys. Chem. A , vol.111 , pp. 12057-12068
- Crawford, T.D.¹ Tam, M.C.² Abrams, M.L.³

95
- 30344463011
- S. M. Wilson, K. B. Wiberg, J. R. Cheeseman, M. J. Frisch, P. H. Vaccaro, J. Phys. Chem. A 2005, 109 , 11752-11764.
- (2005) J. Phys. Chem. A , vol.109 , pp. 11752-11764
- Wilson, S.M.¹ Wiberg, K.B.² Cheeseman, J.R.³ Frisch, M.J.⁴ Vaccaro, P.H.⁵

96
- 33645781009
- M. D. Kundrat, J. Autschbach, J. Phys. Chem. A 2006, 110 , 4115-4123.
- (2006) J. Phys. Chem. A , vol.110 , pp. 4115-4123
- Kundrat, M.D.¹ Autschbach, J.²

97
- 33846114315
- M. D. Kundrat, J. Autschbach, J. Phys. Chem. A 2006, 110 , 12908-12917.
- (2006) J. Phys. Chem. A , vol.110 , pp. 12908-12917
- Kundrat, M.D.¹ Autschbach, J.²

98
- 41549122413
- M. D. Kundrat, J. Autschbach, J. Am. Chem. Soc. 2008, 130 , 4404-4414.
- (2008) J. Am. Chem. Soc. , vol.130 , pp. 4404-4414
- Kundrat, M.D.¹ Autschbach, J.²

99
- 2542471337
- M. Pecul, K. Ruud, A. Rizzo, T. Helgaker, J. Phys. Chem. A 2004, 108 , 4269-4276.
- (2004) J. Phys. Chem. A , vol.108 , pp. 4269-4276
- Pecul, M.¹ Ruud, K.² Rizzo, A.³ Helgaker, T.⁴

100
- 60149098448
- S. Grimme, C. Mück-Lichtenfeld, Chirality 2008, 20 , 1009-1015.
- (2008) Chirality , vol.20 , pp. 1009-1015
- Grimme, S.¹ Mück-Lichtenfeld, C.²

101
- 53849142171
- W. Zhang, K. Krohn, U. Flörke, G. Pescitelli, L. Di Bari, S. Antus, T. Kurtán, J. Rheinheimer, S. Draeger, B. Schulz, Chem. Eur. J . 2008, 14 , 4913-4923.
- (2008) Chem. Eur. J . , vol.14 , pp. 4913-4923
- Zhang, W.¹ Krohn, K.² Flörke, U.³ Pescitelli, G.⁴ Di Bari, L.⁵ Antus, S.⁶ Kurtán, T.⁷ Rheinheimer, J.⁸ Draeger, S.⁹ Schulz, B.¹⁰

102
- 66949149032
- G. Bringmann, K. Maksimenka, T. Bruhn, M. Reichert, T. Harada, R. Kuroda, Tetrahedron 2009, 65 , 5720.
- (2009) Tetrahedron , vol.65 , pp. 5720
- Bringmann, G.¹ Maksimenka, K.² Bruhn, T.³ Reichert, M.⁴ Harada, T.⁵ Kuroda, R.⁶

103
- 33846447789
- H. Hussain, K. Krohn, U. Floerke, B. Schulz, S. Draeger, G. Pescitelli, S. Antus, T. Kurtán, Eur. J. Org. Chem. 2007, 2007 , 292.
- (2007) Eur. J. Org. Chem. , vol.2007 , pp. 292
- Hussain, H.¹ Krohn, K.² Floerke, U.³ Schulz, B.⁴ Draeger, S.⁵ Pescitelli, G.⁶ Antus, S.⁷ Kurtán, T.⁸

104
- 37549009855
- Z. Hassan, H. Hussain, V. U. Ahmad, S. Anjum, G. Pescitelli, T. Kurtán, K. Krohn, Tetrah. Asym. 2007, 18 , 2905.
- (2007) Tetrah. Asym. , vol.18 , pp. 2905
- Hassan, Z.¹ Hussain, H.² Ahmad, V.U.³ Anjum, S.⁴ Pescitelli, G.⁵ Kurtán, T.⁶ Krohn, K.⁷

105
- 34248660226
- H. Hussain, K. Krohn, U. Flörke, B. Schulz, S. Draeger, G. Pescitelli, P. Salvadori, S. Antus, T. Kurtán, Tetrah. Asym. 2007, 18 , 925.
- (2007) Tetrah. Asym. , vol.18 , pp. 925
- Hussain, H.¹ Krohn, K.² Flörke, U.³ Schulz, B.⁴ Draeger, S.⁵ Pescitelli, G.⁶ Salvadori, P.⁷ Antus, S.⁸ Kurtán, T.⁹

106
- 35349009070
- J. Dai, K. Krohn, B. Elsässer, U. Flörke, S. Draeger, B. Schulz, G. Pescitelli, P. Salvadori, S. Antus, T. Kurtán, Eur. J. Org. Chem. 2007, 2007 , 4845.
- (2007) Eur. J. Org. Chem. , vol.2007 , pp. 4845
- Dai, J.¹ Krohn, K.² Elsässer, B.³ Flörke, U.⁴ Draeger, S.⁵ Schulz, B.⁶ Pescitelli, G.⁷ Salvadori, P.⁸ Antus, S.⁹ Kurtán, T.¹⁰

107
- 34248656337
- K. Krohn, I. Kock, B. Elsässer, U. Flörke, B. Schulz, S. Draeger, G. Pescitelli, S. Antus, T. Kurtán, Eur. J. Org. Chem. 2007, 2007 , 1123.
- (2007) Eur. J. Org. Chem. , vol.2007 , pp. 1123
- Krohn, K.¹ Kock, I.² Elsässer, B.³ Flörke, U.⁴ Schulz, B.⁵ Draeger, S.⁶ Pescitelli, G.⁷ Antus, S.⁸ Kurtán, T.⁹

108
- 34250165138
- K. Krohn, U. Farooq, U. Flörke, B. Schulz, S. Draeger, G. Pescitelli, P. Salvadori, S. Antus, T. Kurtán, Eur. J. Org. Chem. 2007, 2007 , 3206.
- (2007) Eur. J. Org. Chem. , vol.2007 , pp. 3206
- Krohn, K.¹ Farooq, U.² Flörke, U.³ Schulz, B.⁴ Draeger, S.⁵ Pescitelli, G.⁶ Salvadori, P.⁷ Antus, S.⁸ Kurtán, T.⁹

109
- 34248669716
- K. Krohn, H. Hussain, U. Flörke, B. Schulz, S. Draeger, G. Pescitelli, P. Salvadori, S. Antus, T. Kurtán, Chirality 2007, 19 , 464-470.
- (2007) Chirality , vol.19 , pp. 464-470
- Krohn, K.¹ Hussain, H.² Flörke, U.³ Schulz, B.⁴ Draeger, S.⁵ Pescitelli, G.⁶ Salvadori, P.⁷ Antus, S.⁸ Kurtán, T.⁹

110
- 47549094721
- W. Zhang, K. Krohn, J. Ding, Z.-H. Miao, X.-H. Zhou, S.-H. Chen, G. Pescitelli, P. Salvadori, T. Kurtan, Y.-W. Guo, J. Nat. Prod. 2008, 71 , 961-966.
- (2008) J. Nat. Prod. , vol.71 , pp. 961-966
- Zhang, W.¹ Krohn, K.² Ding, J.³ Miao, Z.-H.⁴ Zhou, X.-H.⁵ Chen, S.-H.⁶ Pescitelli, G.⁷ Salvadori, P.⁸ Kurtan, T.⁹ Guo, Y.-W.¹⁰

111
- 67650901506
- S. Qin, K. Krohn, U. Flörke, B. Schulz, S. Draeger, G. Pescitelli, P. Salvadori, S. Antus, T. Kurtán, Eur. J. Org. Chem. 2009, 2009 , 3279.
- (2009) Eur. J. Org. Chem. , vol.2009 , pp. 3279
- Qin, S.¹ Krohn, K.² Flörke, U.³ Schulz, B.⁴ Draeger, S.⁵ Pescitelli, G.⁶ Salvadori, P.⁷ Antus, S.⁸ Kurtán, T.⁹

112
- 69249145239
- J. L. Alonso-Gómez, A. G. Petrovic, N. Harada, P. Rivera-Fuentes, N. Berova, F. Diederich, Chem. Eur. J . 2009, 15 , 8396-8400.
- (2009) Chem. Eur. J . , vol.15 , pp. 8396-8400
- Alonso-Gómez, J.L.¹ Petrovic, A.G.² Harada, N.³ Rivera-Fuentes, P.⁴ Berova, N.⁵ Diederich, F.⁶

113
- 67649410682
- Y.-W. Guo, T. Kurtán, K. Krohn, G. Pescitelli, W. Zhang, Chirality 2009, 21 , 561-568.
- (2009) Chirality , vol.21 , pp. 561-568
- Guo, Y.-W.¹ Kurtán, T.² Krohn, K.³ Pescitelli, G.⁴ Zhang, W.⁵

114
- 33746925274
- D. M. McCann, P. J. Stephens, J. Org. Chem. 2006, 71 , 6074-6098.
- (2006) J. Org. Chem. , vol.71 , pp. 6074-6098
- McCann, D.M.¹ Stephens, P.J.²

115
- 0037182654
- B. Mennucci, J. Tomasi, R. Cammi, J. R. Cheeseman, M. J. Frisch, F. J. Devlin, S. Gabriel, P. J. Stephens, J. Phys. Chem. A 2002, 106 , 6102-6113.
- (2002) J. Phys. Chem. A , vol.106 , pp. 6102-6113
- Mennucci, B.¹ Tomasi, J.² Cammi, R.³ Cheeseman, J.R.⁴ Frisch, M.J.⁵ Devlin, F.J.⁶ Gabriel, S.⁷ Stephens, P.J.⁸

116
- 79951816498
- T. B. Pedersen, J. Kongsted, T. D. Crawford, Chirality 2009, 21 , E68-E75.
- (2009) Chirality , vol.21
- Pedersen, T.B.¹ Kongsted, J.² Crawford, T.D.³

117
- 75649123485
- A. Baranowska, A. Sadlej, J. Comput. Chem. 2010, 31 , 552-560.
- (2010) J. Comput. Chem. , vol.31 , pp. 552-560
- Baranowska, A.¹ Sadlej, A.²

118
- 33646337646
- P. L. Polavarapu, Chirality 2006, 18 , 348-356.
- (2006) Chirality , vol.18 , pp. 348-356
- Polavarapu, P.L.¹

119
- 2942665493
- P. J. Stephens, D. M. McCann, F. J. Devlin, J. R. Cheeseman, M. J. Frisch, J. Am. Chem. Soc. 2004, 126 , 7514-7521.
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 7514-7521
- Stephens, P.J.¹ McCann, D.M.² Devlin, F.J.³ Cheeseman, J.R.⁴ Frisch, M.J.⁵

120
- 33846355628
- K. B. Wiberg, Y. G. Wang, S. M. Wilson, P. H. Vaccaro, J. R. Cheeseman, J. Phys. Chem. A 2006, 110 , 13995-14002.
- (2006) J. Phys. Chem. A , vol.110 , pp. 13995-14002
- Wiberg, K.B.¹ Wang, Y.G.² Wilson, S.M.³ Vaccaro, P.H.⁴ Cheeseman, J.R.⁵

121
- 33845286924
- M. Krykunov, M. D. Kundrat, J. Autschbach, J. Chem. Phys. 2006, 125 , 194110-194113.
- (2006) J. Chem. Phys. , vol.125 , pp. 194110-194113
- Krykunov, M.¹ Kundrat, M.D.² Autschbach, J.³

122
- 77952394738
- S. Graule, M. Rudolph, W. Shen, J. A. G. Williams, C. Lescop, J. Autschbach, J. Crassous, R. Reau, Chem. Eur. J . 2010, 16 , 5976-6005.
- (2010) Chem. Eur. J . , vol.16 , pp. 5976-6005
- Graule, S.¹ Rudolph, M.² Shen, W.³ Williams, J.A.G.⁴ Lescop, C.⁵ Autschbach, J.⁶ Crassous, J.⁷ Reau, R.⁸

123
- 0037442980
- K. B. Wiberg, P. H. Vaccaro, J. R. Cheeseman, J. Am. Chem. Soc. 2003, 125 , 1888-1896.
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 1888-1896
- Wiberg, K.B.¹ Vaccaro, P.H.² Cheeseman, J.R.³

124
- 0342645150
- in C. Djerassi, Optical Rotatory Dispersion, McGraw-Hill, New York
- A. Moscowitz, Theory and analysis of rotatory dispersion curves, in C. Djerassi, Optical Rotatory Dispersion, McGraw-Hill, New York, 1960, pp. 150-177.
- (1960) Theory and analysis of rotatory dispersion curves , pp. 150-177
- Moscowitz, A.¹

125
- 0037084331
- A. de Meijere, A. F. Khlebnikov, S. I. Kozhushkov, R. R. Kostikov, P. R. Schreiner, A. Wittkopp, C. Rinderspacher, H. Menzel, D. S. Yufit, J. A. K. Howard, Chem. Eur. J . 2002, 8 , 828-842.
- (2002) Chem. Eur. J . , vol.8 , pp. 828-842
- de Meijere, A.¹ Khlebnikov, A.F.² Kozhushkov, S.I.³ Kostikov, R.R.⁴ Schreiner, P.R.⁵ Wittkopp, A.⁶ Rinderspacher, C.⁷ Menzel, H.⁸ Yufit, D.S.⁹ Howard, J.A.K.¹⁰

126
- 46849090705
- K. B. Wiberg, Y. G. Wang, S. M. Wilson, P. H. Vaccaro, W. L. Jorgensen, T. D. Crawford, M. L. Abrams, J. R. Cheeseman, M. Luderer, J. Phys. Chem. A 2008, 112 , 2415-2422.
- (2008) J. Phys. Chem. A , vol.112 , pp. 2415-2422
- Wiberg, K.B.¹ Wang, Y.G.² Wilson, S.M.³ Vaccaro, P.H.⁴ Jorgensen, W.L.⁵ Crawford, T.D.⁶ Abrams, M.L.⁷ Cheeseman, J.R.⁸ Luderer, M.⁹

127
- 1642543128
- K. B. Wiberg, Y. Gui Wang, P. H. Vaccaro, J. R. Cheeseman, G. Trucks, M. J. Frisch, J. Phys. Chem. A 2004, 108 , 32-38.
- (2004) J. Phys. Chem. A , vol.108 , pp. 32-38
- Wiberg, K.B.¹ Gui, Y.² Wang Vaccaro, P.H.³ Cheeseman, J.R.⁴ Trucks, G.⁵ Frisch, M.J.⁶

128
- 19944397890
- A. G. Petrovic, J. He, P. L. Polavarapu, L. S. Xiao, D. W. Armstrong, Org. Biomol. Chem. 2005, 3 , 1977-1891.
- (2005) Org. Biomol. Chem. , vol.3 , pp. 1977-1891
- Petrovic, A.G.¹ He, J.² Polavarapu, P.L.³ Xiao, L.S.⁴ Armstrong, D.W.⁵

129
- 33644916116
- J. Autschbach, L. Jensen, G. C. Schatz, Y. C. E. Tse, M. Krykunov, J. Phys. Chem. A 2006, 110 , 2461-2473.
- (2006) J. Phys. Chem. A , vol.110 , pp. 2461-2473
- Autschbach, J.¹ Jensen, L.² Schatz, G.C.³ Tse, Y.C.E.⁴ Krykunov, M.⁵

130
- 5644258264
- E. Giorgio, R. G. Viglione, R. Zanasi, C. Rosini, J. Am. Chem. Soc. 2004, 126 , 12968-12976.
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 12968-12976
- Giorgio, E.¹ Viglione, R.G.² Zanasi, R.³ Rosini, C.⁴

131
- 0000527253
- W. R. Moore, H. W. Anderson, S. D. Clark, T. M. Ozretich, J. Am. Chem. Soc. 1971, 93 , 4932-4934.
- (1971) J. Am. Chem. Soc. , vol.93 , pp. 4932-4934
- Moore, W.R.¹ Anderson, H.W.² Clark, S.D.³ Ozretich, T.M.⁴

132
- 74749097612
- P. J. Stephens, N. Harada, Chirality 2010, 22 , 229-233.
- (2010) Chirality , vol.22 , pp. 229-233
- Stephens, P.J.¹ Harada, N.²

133
- 0015199194
- R. K. Ahrenkiel, J. Opt. Soc. Am. 1971, 61 , 1651-1655.
- (1971) J. Opt. Soc. Am. , vol.61 , pp. 1651-1655
- Ahrenkiel, R.K.¹

134
- 20644438006
- K. Ruud, R. Zanasi, Angew. Chem. Int. Edit. 2005, 44 , 3594-3596.
- (2005) Angew. Chem. Int. Edit. , vol.44 , pp. 3594-3596
- Ruud, K.¹ Zanasi, R.²

135
- 31444441389
- J. Kongsted, T. B. Pedersen, L. Jensen, A. E. Hansen, K. V. Mikkelsen, J. Am. Chem. Soc. 2006, 128 , 976-982.
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 976-982
- Kongsted, J.¹ Pedersen, T.B.² Jensen, L.³ Hansen, A.E.⁴ Mikkelsen, K.V.⁵

136
- 38049008054
- J. Kongsted, K. Ruud, Chem. Phys. Lett. 2008, 451 , 226.
- (2008) Chem. Phys. Lett. , vol.451 , pp. 226
- Kongsted, J.¹ Ruud, K.²

137
- 3142707400
- K. B. Wiberg, Y. Wang, M. J. Murphy, P. H. Vaccaro, J. Phys. Chem. A 2004, 108 , 5559-5563.
- (2004) J. Phys. Chem. A , vol.108 , pp. 5559-5563
- Wiberg, K.B.¹ Wang, Y.² Murphy, M.J.³ Vaccaro, P.H.⁴

138
- 33748433770
- M. Nooijen, Int. J. Quantum Chem. 2006, 106 , 2489-2510.
- (2006) Int. J. Quantum Chem. , vol.106 , pp. 2489-2510
- Nooijen, M.¹

139
- 33847615576
- F. Santoro, R. Improta, A. Lami, J. Bloino, V. Barone, J. Chem. Phys. 2007, 126 , 084509-084513.
- (2007) J. Chem. Phys. , vol.126 , pp. 084509-084513
- Santoro, F.¹ Improta, R.² Lami, A.³ Bloino, J.⁴ Barone, V.⁵

140
- 45449093077
- F. Santoro, A. Lami, R. Improta, J. Bloino, V. Barone, J. Chem. Phys. 2008, 128 , 224311-224317.
- (2008) J. Chem. Phys. , vol.128 , pp. 224311-224317
- Santoro, F.¹ Lami, A.² Improta, R.³ Bloino, J.⁴ Barone, V.⁵

141
- 0013068256
- A. Breest, P. Ochmann, F. Pulm, K. H. Goedderz, M. Carnell, J. Hormes, Mol. Phys. 1994, 82 , 539-551.
- (1994) Mol. Phys. , vol.82 , pp. 539-551
- Breest, A.¹ Ochmann, P.² Pulm, F.³ Goedderz, K.H.⁴ Carnell, M.⁵ Hormes, J.⁶

142
- 0002682547
- C. K. Luk, F. S. Richardson, J. Am. Chem. Soc. 1974, 96 , 2006-2009.
- (1974) J. Am. Chem. Soc. , vol.96 , pp. 2006-2009
- Luk, C.K.¹ Richardson, F.S.²

143
- 65249159648
- M. D. Kundrat, J. Autschbach, J. Chem. Theor. Comput. 2009, 5 , 1051-1060.
- (2009) J. Chem. Theor. Comput. , vol.5
- Kundrat, M.D.¹ Autschbach, J.²

144
- 78349297128
- L. Nitsch-Velasquez, J. Autschbach, Chirality, 2010, 22 , E81-E95.
- (2010) J. Autschbach, Chirality, , vol.22
- Nitsch-Velasquez, L.¹

145
- 33947473511
- W. Moffitt, R. B. Woodward, A. Moscowitz, W. Klyne, C. Djerassi, J. Am. Chem. Soc. 1961, 83 , 4013-4018.
- (1961) J. Am. Chem. Soc. , vol.83 , pp. 4013-4018
- Moffitt, W.¹ Woodward, R.B.² Moscowitz, A.³ Klyne, W.⁴ Djerassi, C.⁵

146
- 0006079359
- R. R. Gould, R. Hoffmann, J. Am. Chem. Soc. 1970, 92 , 1813-1818.
- (1970) J. Am. Chem. Soc. , vol.92 , pp. 1813-1818
- Gould, R.R.¹ Hoffmann, R.²

147
- 1642399445
- in Circular Dichroism: Principles and Applications, 2nd ed., N. Berova, K. Nakanishi, and R. Woody, eds., John Wiley & Sons, New York
- D. A. Lightner, The octant rule, in Circular Dichroism: Principles and Applications, 2nd ed., N. Berova, K. Nakanishi, and R. Woody, eds., John Wiley & Sons, New York, 2000, pp. 261-304.
- (2000) The octant rule , pp. 261-304
- Lightner, D.A.¹

148
- 0011894489
- E. C. Jorgensen, Tetrahedron Lett . 1971, 12 , 863-866.
- (1971) Tetrahedron Lett . , vol.12 , pp. 863-866
- Jorgensen, E.C.¹

149
- 43349098317
- G. Pescitelli, N. Sreerama, P. Salvadori, K. Nakanishi, N. Berova, R. W. Woody, J. Am. Chem. Soc. 2008, 130 , 6170-6181.
- (2008) J. Am. Chem. Soc. , vol.130 , pp. 6170-6181
- Pescitelli, G.¹ Sreerama, N.² Salvadori, P.³ Nakanishi, K.⁴ Berova, N.⁵ Woody, R.W.⁶

150
- 37049145586
- G. Clough, J. Chem. Soc., Trans. 1918, 113 , 526-554.
- (1918) J. Chem. Soc., Trans. , vol.113 , pp. 526-554
- Clough, G.¹

151
- 85178450867
- O. Lutz, B. Jirgensons, Ber. Dtsch. Chem. Ges. B 1930, 448-460.
- (1930) Ber. Dtsch. Chem. Ges. B , pp. 448-460
- Lutz, O.¹ Jirgensons, B.²

152
- 85178486868
- O. Lutz, B. Jirgensons, Ber. Dtsch. Chem. Ges. B 1931, 64 , 1221-1232.
- (1931) Ber. Dtsch. Chem. Ges. B , vol.64 , pp. 1221-1232
- Lutz, O.¹ Jirgensons, B.²

153
- 0003814051
- McGraw- Hill, London
- C. J. Ballhausen, Molecular Electronic Structures of Transition M et al Complexes, McGraw- Hill, London, 1979.
- (1979) Molecular Electronic Structures of Transition M et al Complexes
- Ballhausen, C.J.¹

154
- 84885988735
- Vol. 119 of ACS Symposium Series, Americal Chemical Society, Washington, D.C.
- B. E. Douglas, Y. Saito, eds., Stereochemistry of Optically Active Transition M et al Compounds, Vol. 119 of ACS Symposium Series, Americal Chemical Society, Washington, D.C., 1980.
- (1980) Stereochemistry of Optically Active Transition M et al Compounds
- Douglas, B.E.¹ Saito, Y.²

155
- 0032178282
- M. Ziegler, A. von Zelewsky, Coord. Chem. Rev. 1998, 177 , 257-300.
- (1998) Coord. Chem. Rev. , vol.177 , pp. 257-300
- Ziegler, M.¹ von Zelewsky, A.²

156
- 0038636252
- J. Autschbach, F. E. Jorge, T. Ziegler, Inorg. Chem. 2003, 42 , 2867-2877.
- (2003) Inorg. Chem. , vol.42 , pp. 2867-2877
- Autschbach, J.¹ Jorge, F.E.² Ziegler, T.³

157
- 20544436702
- B. Le Guennic, W. Hieringer, A. Görling, J. Autschbach, J. Phys. Chem. A 2005, 109 , 4836-4846.
- (2005) J. Phys. Chem. A , vol.109 , pp. 4836-4846
- Le Guennic, B.¹ Hieringer, W.² Görling, A.³ Autschbach, J.⁴

158
- 37049134404
- A. J. McCaffery, S. F. Mason, B. J. Norman, J. Chem. Soc. A 1969, 1428-1441.
- (1969) J. Chem. Soc. A , pp. 1428-1441
- McCaffery, A.J.¹ Mason, S.F.² Norman, B.J.³

159
- 0037842497
- S. F. Mason, R. H. Seal, Mol. Phys. 1976, 31 , 755-775.
- (1976) Mol. Phys. , vol.31 , pp. 755-775
- Mason, S.F.¹ Seal, R.H.²

160
- 0037504879
- R. R. Judkins, D. J. Royer, Inorg. Chem. 1974, 13 , 945-950.
- (1974) Inorg. Chem. , vol.13 , pp. 945-950
- Judkins, R.R.¹ Royer, D.J.²

161
- 0346963029
- F. E. Jorge, J. Autschbach, T. Ziegler, Inorg. Chem. 2003, 42 , 8902-8910.
- (2003) Inorg. Chem. , vol.42 , pp. 8902-8910
- Jorge, F.E.¹ Autschbach, J.² Ziegler, T.³

162
- 12444346837
- F. E. Jorge, J. Autschbach, T. Ziegler, J. Am. Chem. Soc. 2005, 127 , 975-985.
- (2005) J. Am. Chem. Soc. , vol.127 , pp. 975-985
- Jorge, F.E.¹ Autschbach, J.² Ziegler, T.³

163
- 46749104167
- J. Fan, T. Ziegler, Inorg. Chem. 2008, 47 , 4762-4773.
- (2008) Inorg. Chem. , vol.47 , pp. 4762-4773
- Fan, J.¹ Ziegler, T.²

164
- 84962440962
- R. K. Szilagyi, M. Metz, E. Solomon, J. Phys. Chem. A 2002, 106 , 2994-3007.
- (2002) J. Phys. Chem. A , vol.106 , pp. 2994-3007
- Szilagyi, R.K.¹ Metz, M.² Solomon, E.³

165
- 50549095022
- M. Bühl, Ann. Rep. NMR Spectrosc. 2008, 64 , 77-125.
- (2008) Ann. Rep. NMR Spectrosc. , vol.64 , pp. 77-125
- Bühl, M.¹

166
- 0142026612
- R. Bast, P. Schwerdtfeger, J. Chem. Phys. 2003, 119 , 5988-5994.
- (2003) J. Chem. Phys. , vol.119 , pp. 5988-5994
- Bast, R.¹ Schwerdtfeger, P.²

167
- 77249124921
- J. Fan, J. Autschbach, T. Ziegler, Inorg. Chem. 2010, 49 , 1355-1362.
- (2010) Inorg. Chem. , vol.49 , pp. 1355-1362
- Fan, J.¹ Autschbach, J.² Ziegler, T.³

168
- 15944393779
- eds. N. Kaltsoyannis, J. E. McGrady, Vol. 112 of Structure and Bonding, Springer, Heidelberg
- A. Rosa, G. Ricciardi, O. Gritsenko, E. J. Baerends, Excitation energies of metal complexes with time-dependent density functional theory, in Principles and Applications of Density Functional Theory in Inorganic Chemistry I , eds. N. Kaltsoyannis, J. E. McGrady, Vol. 112 of Structure and Bonding, Springer, Heidelberg, 2004, pp. 49-115.
- (2004) Excitation energies of metal complexes with time-dependent density functional theory in Principles and Applications of Density Functional Theory in Inorganic Chemistry , pp. 49-115
- Rosa, A.¹ Ricciardi, G.² Gritsenko, O.³ Baerends, E.J.⁴

169
- 33745778149
- M. A. L. Marques, C. A. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E. K. U. Gross, eds., Vol. 706 of Lecture Notes in Physics, Springer, Berlin
- D. Rappoport, F. Furche, Excited states and photochemistry, in Time-Dependent Density Functional Theory, M. A. L. Marques, C. A. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E. K. U. Gross, eds., Vol. 706 of Lecture Notes in Physics, Springer, Berlin, 2006.
- (2006) Excited states and photochemistry in Time-Dependent Density Functional Theory,
- Rappoport, D.¹ Furche, F.²

170
- 84886029199
- Wiley-VCH
- J. Autschbach, Spectroscopic properties obtained from time-dependent density functional theory (TD-DFT), in Encyclopedia of Inorganic Chemistry, Wiley-VCH, 2009.
- (2009) Spectroscopic properties obtained from time-dependent density functional theory (TD-DFT) in Encyclopedia of Inorganic Chemistry
- Autschbach, J.¹

171
- 33748413143
- L. Jensen, M. Swart, P. T. van Duijnen, J. Autschbach, Int. J. Quantum Chem. 2006, 106 , 2479-2488.
- (2006) Int. J. Quantum Chem. , vol.106 , pp. 2479-2488
- Jensen, L.¹ Swart, M.² van Duijnen, P.T.³ Autschbach, J.⁴

172
- 60849101878
- J. Fan, M. Seth, J. Autschbach, T. Ziegler, Inorg. Chem. 2008, 47 , 11656-11668.
- (2008) Inorg. Chem. , vol.47 , pp. 11656-11668
- Fan, J.¹ Seth, M.² Autschbach, J.³ Ziegler, T.⁴

173
- 33846280845
- A. Vargas, M. Zerara, E. Krausz, A. Hauser, L. M. Lawson Daku, J. Chem. Theor. Comput. 2006, 2 , 1342-1359.
- (2006) J. Chem. Theor. Comput. , vol.2 , pp. 1342-1359
- Vargas, A.¹ Zerara, M.² Krausz, E.³ Hauser, A.⁴ Lawson Daku, L.M.⁵

174
- 33645278634
- P. W. Thulstrup, E. Larsen, Dalton Trans. 2006, 1784-1789.
- (2006) Dalton Trans. , pp. 1784-1789
- Thulstrup, P.W.¹ Larsen, E.²

175
- 42149156698
- J. Coughlin, M. Westrol, K. Oyler, N. Byrne, E. Kraml, C. Zysman-Colman, M. Lowry, S. Bernhard, Inorg. Chem. 2008, 47 , 2039-2048.
- (2008) Inorg. Chem. , vol.47 , pp. 2039-2048
- Coughlin, J.¹ Westrol, M.² Oyler, K.³ Byrne, N.⁴ Kraml, E.⁵ Zysman-Colman, C.⁶ Lowry, M.⁷ Bernhard, S.⁸

176
- 39749157081
- F. J. Coughlin, K. D. Oyler, J. Pascal, Robert A., S. Bernhard, Inorg. Chem. 2008, 47 , 974-979.
- (2008) Inorg. Chem. , vol.47 , pp. 974-979
- Coughlin, F.J.¹ Oyler, K.D.² Pascal, J.³ Robert, A.⁴ Bernhard, S.⁵

177
- 33947375058
- D. W. Armstrong, F. A. Cotton, A. G. Petrovic, P. L. Polavarapu, M. M. Warnke, Inorg. Chem. 2007, 46 , 1535-1537.
- (2007) Inorg. Chem. , vol.46 , pp. 1535-1537
- Armstrong, D.W.¹ Cotton, F.A.² Petrovic, A.G.³ Polavarapu, P.L.⁴ Warnke, M.M.⁵

178
- 70349673113
- N. Kobayashi, F. Narita, K. Ishii, A. Muranaka, Chemistry 2009, 15 , 10173-10181.
- (2009) Chemistry , vol.15 , pp. 10173-10181
- Kobayashi, N.¹ Narita, F.² Ishii, K.³ Muranaka, A.⁴

179
- 73349089026
- L. Norel, M. Rudolph, N. Vanthuyne, J. G. Williams, C. Lescop, C. Roussel, J. Autschbach, J. Crassous, R. Reau, Angew. Chem. Int. Edit. 2010, 49 , 99-102.
- (2010) Angew. Chem. Int. Edit. , vol.49 , pp. 99-102
- Norel, L.¹ Rudolph, M.² Vanthuyne, N.³ Williams, J.G.⁴ Lescop, C.⁵ Roussel, C.⁶ Autschbach, J.⁷ Crassous, J.⁸ Reau, R.⁹

180
- 67749135571
- S. Graule, M. Rudolph, N. Vanthuyne, J. Autschbach, C. Roussel, J. Crassous, R. Reau, J. Am. Chem. Soc. 2009, 131 , 3183-3185.
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 3183-3185
- Graule, S.¹ Rudolph, M.² Vanthuyne, N.³ Autschbach, J.⁴ Roussel, C.⁵ Crassous, J.⁶ Reau, R.⁷

181
- 76149108433
- A. Sanchez-Castillo, C. Noguez, I. Garzon, J. Am. Chem. Soc. 2010, 132 , 1504-1505.
- (2010) J. Am. Chem. Soc. , vol.132 , pp. 1504-1505
- Sanchez-Castillo, A.¹ C.Noguez I.Garzon²

182
- 33645460414
- M.-R. Goldsmith, C. B. George, G. Zuber, R. Naaman, D. H. Waldeck, P. Wipf, D. N. Beratan, Phys. Chem. Chem. Phys. 2006, 8 , 63-67.
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 63-67
- Goldsmith, M.-R.¹ George, C.B.² Zuber, G.³ Naaman, R.⁴ Waldeck, D.H.⁵ Wipf, P.⁶ Beratan, D.N.⁷

183
- 75749142622
- M. R. Provorse, C. M. Aikens, J. Am. Chem. Soc. 2010, 132 , 1302-1310.
- (2010) J. Am. Chem. Soc. , vol.132 , pp. 1302-1310
- Provorse, M.R.¹ Aikens, C.M.²

184
- 33644916226
- Verlag Chemie, Weinheim
- H. Lehl, K.-C. Buschbeck, R. Gagarin, Kobalt B/2, in Gmelins Handbuch der Anorganischen Chemie, Verlag Chemie, Weinheim, 1964, pp. 357-358.
- (1964) Kobalt B/2 in Gmelins Handbuch der Anorganischen Chemie , pp. 357-358
- Lehl, H.¹ Buschbeck, K.-C.² Gagarin, R.³

185
- 41549130661
- J. Autschbach, Comp. Lett . 2007, 3 , 131-150.
- (2007) Comp. Lett . , vol.3 , pp. 131-150
- Autschbach, J.¹

186
- 20544466926
- L. Jensen, J. Autschbach, G. C. Schatz, J. Chem. Phys. 2005, 122 , 224115.
- (2005) J. Chem. Phys. , vol.122 , pp. 224115
- Jensen, L.¹ Autschbach, J.² Schatz, G.C.³

187
- 60149098132
- J. Fan, T. Ziegler, Chirality 2008, 20 , 938-950.
- (2008) Chirality , vol.20 , pp. 938-950
- Fan, J.¹ Ziegler, T.²

188
- 0001299682
- E. J. Stiefel, G. F. Brown, Inorg. Chem 1972, 11 , 434-436.
- (1972) Inorg. Chem , vol.11 , pp. 434-436
- Stiefel, E.J.¹ Brown, G.F.²

189
- 0001838244
- S. F. Mason, Inorg. Chim. Acta Rev. 1968, 2 , 89-109.
- (1968) Inorg. Chim. Acta Rev. , vol.2 , pp. 89-109
- Mason, S.F.¹

190
- 37049129744
- S. F. Mason, B. J. Peart, J. Chem. Soc. Dalton Trans. 1973, 9 , 949-954.
- (1973) J. Chem. Soc. Dalton Trans. , vol.9 , pp. 949-954
- Mason, S.F.¹ Peart, B.J.²

191
- 37049114127
- S. F. Mason, B. J. Peart, J. Chem. Soc. Dalton Trans. 1973, 9 , 944-949.
- (1973) J. Chem. Soc. Dalton Trans. , vol.9 , pp. 944-949
- Mason, S.F.¹ Peart, B.J.²

192
- 80053893525
- DOI 10.1021/jp 2055409.
- M. Srebro, N. Govind, W.A. de Jong, J. Autschbach, J. Phys. Chem. A 2011, DOI 10.1021/jp 2055409.
- (2011) J. Phys. Chem. A
- Srebro, M.¹ Govind, N.² de Jong, W.A.³ Autschbach, J.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.