SCOPUS 정보 검색 플랫폼

ChemPhysChem

Volumn 12, Issue 17, 2011, Pages 3291-3306

Theoretical study of the Raman optical activity spectra of 3 10-helical polypeptides

(1) Jacob, Christoph R a

a KARLSRUHE INSTITUTE OF TECHNOLOGY (Germany)

Author keywords

chirality; density functional calculations; helical structures; proteins; vibrational spectroscopy

Indexed keywords

CHIRALITY; DENSITY FUNCTIONAL THEORY; PROTEINS; VIBRATIONAL SPECTROSCOPY;

ALIPHATIC SIDE CHAIN; EXPERIMENTAL SPECTRA; HELICAL STRUCTURES; RAMAN OPTICAL ACTIVITY; SECONDARY STRUCTURE ELEMENTS; STRUCTURAL INFORMATION; SUBSTITUTION PATTERNS; THEORETICAL INVESTIGATIONS;

OPTICAL MATERIALS;

EID: 82955240676 PISSN: 14394235 EISSN: 14397641 Source Type: Journal
DOI: 10.1002/cphc.201100593 Document Type: Article

Times cited : (18)

References (92)

1
- 44949122425
- O. C. Redfern, B. Dessailly, C. A. Orengo, Curr. Opin. Struct. Biol. 2008, 18, 394-402.
- (2008) Curr. Opin. Struct. Biol. , vol.18 , pp. 394-402
- Redfern, O.C.¹ Dessailly, B.² Orengo, C.A.³

2
- 0032749078
- P. E. Wright, H. J. Dyson, J. Mol. Biol. 1999, 293, 321-331.
- (1999) J. Mol. Biol. , vol.293 , pp. 321-331
- Wright, P.E.¹ Dyson, H.J.²

3
- 43449098518
- D. Röthlisberger, O. Khersonsky, A. M. Wollacott, L. Jiang, J. DeChancie, J. Betker, J. L. Gallaher, E. A. Althoff, A. Zanghellini, O. Dym, S. Albeck, K. N. Houk, D. S. Tawfik, D. Baker, Nature 2008, 453, 190-195.
- (2008) Nature , vol.453 , pp. 190-195
- Röthlisberger, D.¹ Khersonsky, O.² Wollacott, A.M.³ Jiang, L.⁴ Dechancie, J.⁵ Betker, J.⁶ Gallaher, J.L.⁷ Althoff, E.A.⁸ Zanghellini, A.⁹ Dym, O.¹⁰ Albeck, S.¹¹ Houk, K.N.¹² Tawfik, D.S.¹³ Baker, D.¹⁴

4
- 40449116114
- L. Jiang, E. A. Althoff, F. R. Clemente, L. Doyle, D. Röthlisberger, A. Zanghellini, J. L. Gallaher, J. L. Betker, F. Tanaka, C. F. Barbas, D. Hilvert, K. N. Houk, B. L. Stoddard, D. Baker, Science 2008, 319, 1387-1391.
- (2008) Science , vol.319 , pp. 1387-1391
- Jiang, L.¹ Althoff, E.A.² Clemente, F.R.³ Doyle, L.⁴ Röthlisberger, D.⁵ Zanghellini, A.⁶ Gallaher, J.L.⁷ Betker, J.L.⁸ Tanaka, F.⁹ Barbas, C.F.¹⁰ Hilvert, D.¹¹ Houk, K.N.¹² Stoddard, B.L.¹³ Baker, D.¹⁴

5
- 84855196692
- Wiley-Interscience, New York.
- K. Wüthrich, NMR of Proteins and Nucleic Acids, Wiley-Interscience, New York, 1986.
- (1986) NMR of Proteins and Nucleic Acids
- Wüthrich, K.¹

6
- 0003412651
- Clarendon Press, Oxford.
- R. R. Ernst, G. Bodenhausen, A. Wokaun, Principles of Nuclear Magnetic Resonance in One And Two Dimensions, Clarendon Press, Oxford, 1987.
- (1987) Principles of Nuclear Magnetic Resonance in One and Two Dimensions
- Ernst, R.R.¹ Bodenhausen, G.² Wokaun, A.³

7
- 42449110311
- Z. Ganim, H. S. Chung, A. W. Smith, L. P. DeFlores, K. C. Jones, A. Tokmakoff, Acc. Chem. Res. 2008, 41, 432-441.
- (2008) Acc. Chem. Res. , vol.41 , pp. 432-441
- Ganim, Z.¹ Chung, H.S.² Smith, A.W.³ Deflores, L.P.⁴ Jones, K.C.⁵ Tokmakoff, A.⁶

8
- 72449149854
- W. Zhuang, T. Hayashi, S. Mukamel, Angew. Chem. 2009, 121, 3804-3838
- (2009) Angew. Chem. , vol.121 , pp. 3804-3838
- Zhuang, W.¹ Hayashi, T.² Mukamel, S.³

9
- 70349783538
- Angew. Chem. Int. Ed. 2009, 48, 3750-3781.
- (2009) Angew. Chem. Int. Ed. , vol.48 , pp. 3750-3781

10
- 0033578748
- P. R. Carey, J. Biol. Chem. 1999, 274, 26625-26628.
- (1999) J. Biol. Chem. , vol.274 , pp. 26625-26628
- Carey, P.R.¹

11
- 0036293355
- G. J. Thomas, Jr., Biopolymers 2002, 67, 214-225.
- (2002) Biopolymers , vol.67 , pp. 214-225
- Thomas Jr., G.J.¹

12
- 0038281274
- E. Vass, M. Hollosi, F. Besson, R. Buchet, Chem. Rev. 2003, 103, 1917-1954.
- (2003) Chem. Rev. , vol.103 , pp. 1917-1954
- Vass, E.¹ Hollosi, M.² Besson, F.³ Buchet, R.⁴

13
- 0001326710
- P. Hamm, M. Lim, R. M. Hochstrasser, J. Phys. Chem. B 1998, 102, 6123-6138.
- (1998) J. Phys. Chem. B , vol.102 , pp. 6123-6138
- Hamm, P.¹ Lim, M.² Hochstrasser, R.M.³

14
- 33645815471
- H. Maekawa, C. Toniolo, A. Moretto, Q. B. Broxterman, N.-H. Ge, J. Phys. Chem. B 2006, 110, 5834-5837.
- (2006) J. Phys. Chem. B , vol.110 , pp. 5834-5837
- Maekawa, H.¹ Toniolo, C.² Moretto, A.³ Broxterman, Q.B.⁴ Ge, N.-H.⁵

15
- 67749106316
- L. P. DeFlores, Z. Ganim, R. A. Nicodemus, A. Tokmakoff, J. Am. Chem. Soc. 2009, 131, 3385-3391.
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 3385-3391
- Deflores, L.P.¹ Ganim, Z.² Nicodemus, R.A.³ Tokmakoff, A.⁴

16
- 67849090911
- H. Maekawa, M. De Poli, C. Toniolo, N.-H. Ge, J. Am. Chem. Soc. 2009, 131, 2042-2043.
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 2042-2043
- Maekawa, H.¹ De Poli, M.² Toniolo, C.³ Ge, N.-H.⁴

17
- 0034809652
- R. Schweitzer-Stenner, J. Raman Spectrosc. 2001, 32, 711-732.
- (2001) J. Raman Spectrosc. , vol.32 , pp. 711-732
- Schweitzer-Stenner, R.¹

18
- 0034620773
- A. Cua, D. H. Stewart, M. J. Reifler, G. W. Brudvig, D. F. Bocian, J. Am. Chem. Soc. 2000, 122, 2069-2077.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 2069-2077
- Cua, A.¹ Stewart, D.H.² Reifler, M.J.³ Brudvig, G.W.⁴ Bocian, D.F.⁵

19
- 10844246340
- A. V. Mikhonin, Z. Ahmed, A. Ianoul, S. A. Asher, J. Phys. Chem. B 2004, 108, 19020-19028.
- (2004) J. Phys. Chem. B , vol.108 , pp. 19020-19028
- Mikhonin, A.V.¹ Ahmed, Z.² Ianoul, A.³ Asher, S.A.⁴

20
- 14644404941
- I. R. Rodriguez-Mendieta, G. R. Spence, C. Gell, S. E. Radford, D. A. Smith, Biochemistry 2005, 44, 3306-3315.
- (2005) Biochemistry , vol.44 , pp. 3306-3315
- Rodriguez-Mendieta, I.R.¹ Spence, G.R.² Gell, C.³ Radford, S.E.⁴ Smith, D.A.⁵

21
- 32044452490
- C.-Y. Huang, G. Balakrishnan, T. G. Spiro, J. Raman Spectrosc. 2006, 37, 277-282.
- (2006) J. Raman Spectrosc. , vol.37 , pp. 277-282
- Huang, C.-Y.¹ Balakrishnan, G.² Spiro, T.G.³

22
- 77954243583
- L. D. Barron, A. D. Buckingham, Chem. Phys. Lett. 2010, 492, 199-213.
- (2010) Chem. Phys. Lett. , vol.492 , pp. 199-213
- Barron, L.D.¹ Buckingham, A.D.²

23
- 0000042757
- in (Eds.: N. Berova, K. Nakanishi, R. W. Woody), Wiley-VCH, Weinheim
- T. A. Keiderling, in Circular Dichroism: Principles and Applications, 2nd ed. (Eds.:, N. Berova, K. Nakanishi, R. W. Woody,), Wiley-VCH, Weinheim, 2000, pp. 621-666.
- (2000) Circular Dichroism: Principles and Applications, 2nd Ed. , pp. 621-666
- Keiderling, T.A.¹

24
- 0003976534
- Cambridge University Press, Cambridge.
- L. D. Barron, Molecular Light Scattering and Optical Activity, 2nd ed., Cambridge University Press, Cambridge, 2004.
- (2004) Molecular Light Scattering and Optical Activity, 2nd Ed.
- Barron, L.D.¹

25
- 33947087531
- L. D. Barron, M. P. Bogaard, A. D. Buckingham, J. Am. Chem. Soc. 1973, 95, 603-605.
- (1973) J. Am. Chem. Soc. , vol.95 , pp. 603-605
- Barron, L.D.¹ Bogaard, M.P.² Buckingham, A.D.³

26
- 0006017925
- W. Hug, S. Kint, G. F. Bailey, J. R. Scherer, J. Am. Chem. Soc. 1975, 97, 5589-5590.
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 5589-5590
- Hug, W.¹ Kint, S.² Bailey, G.F.³ Scherer, J.R.⁴

27
- 34250362103
- C. Herrmann, M. Reiher, Top. Curr. Chem. 2007, 268, 85-132.
- (2007) Top. Curr. Chem. , vol.268 , pp. 85-132
- Herrmann, C.¹ Reiher, M.²

28
- 0034682537
- R. A. G. D. Silva, J. Kubelka, P. Bouř, S. M. Decatur, T. A. Keiderling, Proc. Natl. Acad. Sci. USA 2000, 97, 8318-8323.
- (2000) Proc. Natl. Acad. Sci. USA , vol.97 , pp. 8318-8323
- Silva, R.A.G.D.¹ Kubelka, J.² Bouř, P.³ Decatur, S.M.⁴ Keiderling, T.A.⁵

29
- 0037093868
- J. Kubelka, R. A. G. D. Silva, T. A. Keiderling, J. Am. Chem. Soc. 2002, 124, 5325-5332.
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 5325-5332
- Kubelka, J.¹ Silva, R.A.G.D.² Keiderling, T.A.³

30
- 1942489291
- I. H. McColl, E. W. Blanch, L. Hecht, N. R. Kallenbach, L. D. Barron, J. Am. Chem. Soc. 2004, 126, 5076-5077.
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 5076-5077
- McColl, I.H.¹ Blanch, E.W.² Hecht, L.³ Kallenbach, N.R.⁴ Barron, L.D.⁵

31
- 33644531529
- J. Kapitán, V. Baumruk, P. Bouř, J. Am. Chem. Soc. 2006, 128, 2438-2443.
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 2438-2443
- Kapitán, J.¹ Baumruk, V.² Bouř, P.³

32
- 0034118337
- L. D. Barron, L. Hecht, E. W. Blanch, A. F. Bell, Prog. Biophys. Mol. Biol. 2000, 73, 1-49.
- (2000) Prog. Biophys. Mol. Biol. , vol.73 , pp. 1-49
- Barron, L.D.¹ Hecht, L.² Blanch, E.W.³ Bell, A.F.⁴

33
- 0036399145
- in (Ed.: G. D. Rose), Elsevier, San Diego
- L. D. Barron, E. W. Blanch, L. Hecht, in Advances in Protein Chemistry, Vol. 62 (Ed.:, G. D. Rose,), Elsevier, San Diego, 2002, pp. 51-90.
- (2002) Advances in Protein Chemistry, Vol. 62 , pp. 51-90
- Barron, L.D.¹ Blanch, E.W.² Hecht, L.³

34
- 4444355035
- L. D. Barron, L. Hecht, I. H. McColl, E. W. Blanch, Mol. Phys. 2004, 102, 731-744.
- (2004) Mol. Phys. , vol.102 , pp. 731-744
- Barron, L.D.¹ Hecht, L.² McColl, I.H.³ Blanch, E.W.⁴

35
- 31644443201
- F. Zhu, N. W. Isaacs, L. Hecht, G. E. Tranter, L. D. Barron, Chirality 2006, 18, 103-115.
- (2006) Chirality , vol.18 , pp. 103-115
- Zhu, F.¹ Isaacs, N.W.² Hecht, L.³ Tranter, G.E.⁴ Barron, L.D.⁵

36
- 33750228331
- C. Herrmann, K. Ruud, M. Reiher, ChemPhysChem 2006, 7, 2189-2196.
- (2006) ChemPhysChem , vol.7 , pp. 2189-2196
- Herrmann, C.¹ Ruud, K.² Reiher, M.³

37
- 38649113606
- C. Herrmann, K. Ruud, M. Reiher, Chem. Phys. 2008, 343, 200-209.
- (2008) Chem. Phys. , vol.343 , pp. 200-209
- Herrmann, C.¹ Ruud, K.² Reiher, M.³

38
- 72449157458
- Ch. R. Jacob, S. Luber, M. Reiher, Chem. Eur. J. 2009, 15, 13491-13508.
- (2009) Chem. Eur. J. , vol.15 , pp. 13491-13508
- Jacob, Ch.R.¹ Luber, S.² Reiher, M.³

39
- 75649108585
- S. Luber, M. Reiher, J. Phys. Chem. B 2010, 114, 1057-1063.
- (2010) J. Phys. Chem. B , vol.114 , pp. 1057-1063
- Luber, S.¹ Reiher, M.²

40
- 79953842370
- T. Weymuth, C. R. Jacob, M. Reiher, ChemPhysChem 2011, 12, 1165-1175.
- (2011) ChemPhysChem , vol.12 , pp. 1165-1175
- Weymuth, T.¹ Jacob, C.R.² Reiher, M.³

41
- 61449133309
- C. R. Jacob, M. Reiher, J. Chem. Phys. 2009, 130, 084106.
- (2009) J. Chem. Phys. , vol.130 , pp. 084106
- Jacob, C.R.¹ Reiher, M.²

42
- 66349083532
- C. R. Jacob, S. Luber, M. Reiher, J. Phys. Chem. B 2009, 113, 6558-6573.
- (2009) J. Phys. Chem. B , vol.113 , pp. 6558-6573
- Jacob, C.R.¹ Luber, S.² Reiher, M.³

43
- 3042850001
- I. H. McColl, E. W. Blanch, L. Hecht, L. D. Barron, J. Am. Chem. Soc. 2004, 126, 8181-8188.
- (2004) J. Am. Chem. Soc. , vol.126 , pp. 8181-8188
- McColl, I.H.¹ Blanch, E.W.² Hecht, L.³ Barron, L.D.⁴

44
- 0030133968
- L. D. Barron, L. Hecht, A. F. Bell, G. Wilson, Appl. Spectrosc. 1996, 50, 619-629.
- (1996) Appl. Spectrosc. , vol.50 , pp. 619-629
- Barron, L.D.¹ Hecht, L.² Bell, A.F.³ Wilson, G.⁴

45
- 0001788379
- J. Teraoka, A. F. Bell, L. Hecht, L. D. Barron, J. Raman Spectrosc. 1998, 29, 67-71.
- (1998) J. Raman Spectrosc. , vol.29 , pp. 67-71
- Teraoka, J.¹ Bell, A.F.² Hecht, L.³ Barron, L.D.⁴

46
- 0026419837
- C. Toniolo, E. Benedetti, Macromolecules 1991, 24, 4004-4009.
- (1991) Macromolecules , vol.24 , pp. 4004-4009
- Toniolo, C.¹ Benedetti, E.²

47
- 0034671444
- F. Formaggio, M. Crisma, P. Rossi, P. Scrimin, B. Kaptein, Q. B. Broxterman, J. Kamphuis, C. Toniolo, Chem. Eur. J. 2000, 6, 4498-4504.
- (2000) Chem. Eur. J. , vol.6 , pp. 4498-4504
- Formaggio, F.¹ Crisma, M.² Rossi, P.³ Scrimin, P.⁴ Kaptein, B.⁵ Broxterman, Q.B.⁶ Kamphuis, J.⁷ Toniolo, C.⁸

48
- 0035552035
- C. Toniolo, M. Crisma, F. Formaggio, C. Peggion, Biopolymers 2001, 60, 396-419.
- (2001) Biopolymers , vol.60 , pp. 396-419
- Toniolo, C.¹ Crisma, M.² Formaggio, F.³ Peggion, C.⁴

49
- 0142216108
- F. Formaggio, M. Crisma, C. Toniolo, Q. B. Broxterman, B. Kaptein, C. Corbier, M. Saviano, P. Palladino, E. Benedetti, Macromolecules 2003, 36, 8164-8170.
- (2003) Macromolecules , vol.36 , pp. 8164-8170
- Formaggio, F.¹ Crisma, M.² Toniolo, C.³ Broxterman, Q.B.⁴ Kaptein, B.⁵ Corbier, C.⁶ Saviano, M.⁷ Palladino, P.⁸ Benedetti, E.⁹

50
- 4444368196
- C. Toniolo, F. Formaggio, S. Tognon, Q. B. Broxterman, B. Kaptein, R. Huang, V. Setnicka, T. A. Keiderling, I. H. McColl, L. Hecht, L. D. Barron, Biopolymers 2004, 75, 32-45.
- (2004) Biopolymers , vol.75 , pp. 32-45
- Toniolo, C.¹ Formaggio, F.² Tognon, S.³ Broxterman, Q.B.⁴ Kaptein, B.⁵ Huang, R.⁶ Setnicka, V.⁷ Keiderling, T.A.⁸ McColl, I.H.⁹ Hecht, L.¹⁰ Barron, L.D.¹¹

51
- 0003422324
- Dover, New York.
- E. B. Wilson, J. C. Decius, P. C. Cross, Molecular Vibrations: The Theory of Infrared and Raman Vibrational Spectra, Dover, New York, 1980.
- (1980) Molecular Vibrations: The Theory of Infrared and Raman Vibrational Spectra
- Wilson, E.B.¹ Decius, J.C.² Cross, P.C.³

52
- 0012339543
- Wiley, Chichester.
- D. A. Long, The Raman Effect: A Unified Treatment of the Theory of Raman Scattering by Molecules, Wiley, Chichester, 2001.
- (2001) The Raman Effect: A Unified Treatment of the Theory of Raman Scattering by Molecules
- Long, D.A.¹

53
- 0037104805
- K. Ruud, T. Helgaker, P. Bouř, J. Phys. Chem. A 2002, 106, 7448-7455.
- (2002) J. Phys. Chem. A , vol.106 , pp. 7448-7455
- Ruud, K.¹ Helgaker, T.² Bouř, P.³

54
- 84962476453
- M. Pecul, K. Ruud, Int. J. Quantum Chem. 2005, 104, 816-829.
- (2005) Int. J. Quantum Chem. , vol.104 , pp. 816-829
- Pecul, M.¹ Ruud, K.²

55
- 0000847058
- P. L. Polavarapu, J. Phys. Chem. 1990, 94, 8106-8112.
- (1990) J. Phys. Chem. , vol.94 , pp. 8106-8112
- Polavarapu, P.L.¹

56
- 0037099974
- J. Neugebauer, M. Reiher, C. Kind, B. A. Hess, J. Comput. Chem. 2002, 23, 895-910.
- (2002) J. Comput. Chem. , vol.23 , pp. 895-910
- Neugebauer, J.¹ Reiher, M.² Kind, C.³ Hess, B.A.⁴

57
- 24944587149
- M. Reiher, V. Liegeois, K. Ruud, J. Phys. Chem. A 2005, 109, 7567-7574.
- (2005) J. Phys. Chem. A , vol.109 , pp. 7567-7574
- Reiher, M.¹ Liegeois, V.² Ruud, K.³

58
- 22944468462
- D. Rappoport, F. Furche, J. Chem. Phys. 2005, 122, 064105.
- (2005) J. Chem. Phys. , vol.122 , pp. 064105
- Rappoport, D.¹ Furche, F.²

59
- 36549037091
- V. Liegeois, K. Ruud, B. Champagne, J. Chem. Phys. 2007, 127, 204105.
- (2007) J. Chem. Phys. , vol.127 , pp. 204105
- Liegeois, V.¹ Ruud, K.² Champagne, B.³

60
- 77951796932
- EE 67.
- K. Ruud, A. J. Thorvaldsen, Chirality 2009, 21, E 54 -E 67.
- (2009) Chirality , vol.21 , pp. 54
- Ruud, K.¹ Thorvaldsen, A.J.²

61
- 79551619174
- R. Bast, U. Ekström, B. Gao, T. Helgaker, K. Ruud, A. J. Thorvaldsen, Phys. Chem. Chem. Phys. 2011, 13, 2627.
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 2627
- Bast, R.¹ Ekström, U.² Gao, B.³ Helgaker, T.⁴ Ruud, K.⁵ Thorvaldsen, A.J.⁶

62
- 37049117534
- L. D. Barron, J. Chem. Soc. A 1971, 2899-2904.
- (1971) J. Chem. Soc. A , pp. 2899-2904
- Barron, L.D.¹

63
- 54349083573
- Ch. R. Jacob, S. Luber, M. Reiher, ChemPhysChem 2008, 9, 2177-2180.
- (2008) ChemPhysChem , vol.9 , pp. 2177-2180
- Jacob, Ch.R.¹ Luber, S.² Reiher, M.³

64
- 77955584733
- T. Weymuth, C. R. Jacob, M. Reiher, J. Phys. Chem. B 2010, 114, 10649-10660.
- (2010) J. Phys. Chem. B , vol.114 , pp. 10649-10660
- Weymuth, T.¹ Jacob, C.R.² Reiher, M.³

65
- 77954330169
- V. Liégeois, C. R. Jacob, B. Champagne, M. Reiher, J. Phys. Chem. A 2010, 114, 7198-7212.
- (2010) J. Phys. Chem. A , vol.114 , pp. 7198-7212
- Liégeois, V.¹ Jacob, C.R.² Champagne, B.³ Reiher, M.⁴

66
- 79956122650
- A. Lakhani, A. Roy, M. De Poli, M. Nakaema, F. Formaggio, C. Toniolo, T. A. Keiderling, J. Phys. Chem. B 2011, 115, 6252-6264.
- (2011) J. Phys. Chem. B , vol.115 , pp. 6252-6264
- Lakhani, A.¹ Roy, A.² De Poli, M.³ Nakaema, M.⁴ Formaggio, F.⁵ Toniolo, C.⁶ Keiderling, T.A.⁷

67
- 0035812120
- P. Bouř, J. Kapitan, V. Baumruk, J. Phys. Chem. A 2001, 105, 6362-6368.
- (2001) J. Phys. Chem. A , vol.105 , pp. 6362-6368
- Bouř, P.¹ Kapitan, J.² Baumruk, V.³

68
- 33750061923
- J. Kapitan, V. Baumruk, V. Kopecky, R. Pohl, P. Bouř, J. Am. Chem. Soc. 2006, 128, 13451-13462.
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 13451-13462
- Kapitan, J.¹ Baumruk, V.² Kopecky, V.³ Pohl, R.⁴ Bouř, P.⁵

69
- 67650816172
- S. Luber, M. Reiher, J. Phys. Chem. A 2009, 113, 8268-8277.
- (2009) J. Phys. Chem. A , vol.113 , pp. 8268-8277
- Luber, S.¹ Reiher, M.²

70
- 34250312861
- W. Hug, J. Haesler, S. I. Kozhushkov, A. de Meijere, ChemPhysChem 2007, 8, 1161-1169.
- (2007) ChemPhysChem , vol.8 , pp. 1161-1169
- Hug, W.¹ Haesler, J.² Kozhushkov, S.I.³ De Meijere, A.⁴

71
- 33646242271
- J. Kapitan, V. Baumruk, V. J. Kopecky, P. Bouř, J. Phys. Chem. A 2006, 110, 4689-4696.
- (2006) J. Phys. Chem. A , vol.110 , pp. 4689-4696
- Kapitan, J.¹ Baumruk, V.² Kopecky, V.J.³ Bouř, P.⁴

72
- 79953854341
- J. R. Cheeseman, M. S. Shaik, P. L. A. Popelier, E. W. Blanch, J. Am. Chem. Soc. 2011, 133, 4991-4997.
- (2011) J. Am. Chem. Soc. , vol.133 , pp. 4991-4997
- Cheeseman, J.R.¹ Shaik, M.S.² Popelier, P.L.A.³ Blanch, E.W.⁴

73
- 79953804694
- K. H. Hopmann, K. Ruud, M. Pecul, A. Kudelski, M. Dračí nský, P. Bouř, J. Phys. Chem. B 2011, 115, 4128-4137.
- (2011) J. Phys. Chem. B , vol.115 , pp. 4128-4137
- Hopmann, K.H.¹ Ruud, K.² Pecul, M.³ Kudelski, A.⁴ Dračínský, M.⁵ Bouř, P.⁶

74
- 0001167142
- P. Bouř, J. Sopková, L. Bednárová, P. Maloň, T. A. Keiderling, J. Comput. Chem. 1997, 18, 646-659.
- (1997) J. Comput. Chem. , vol.18 , pp. 646-659
- Bouř, P.¹ Sopková, J.² Bednárová, L.³ Maloň, P.⁴ Keiderling, T.A.⁵

75
- 79959245335
- N. S. Bieler, M. P. Haag, C. R. Jacob, M. Reiher, J. Chem. Theory Comput. 2011, 7, 1867-1881.
- (2011) J. Chem. Theory Comput. , vol.7 , pp. 1867-1881
- Bieler, N.S.¹ Haag, M.P.² Jacob, C.R.³ Reiher, M.⁴

76
- 82955236576
- R. Ahlrichs, et al., Turbomole
- R. Ahlrichs, et al., Turbomole,.

77
- 4243539377
- R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 1989, 162, 165-169.
- (1989) Chem. Phys. Lett. , vol.162 , pp. 165-169
- Ahlrichs, R.¹ Bär, M.² Häser, M.³ Horn, H.⁴ Kölmel, C.⁵

78
- 4243553426
- A. D. Becke, Phys. Rev. A 1988, 38, 3098.
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

79
- 5944261746
- J. P. Perdew, Phys. Rev. B 1986, 33, 8822.
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

80
- 0039209924
- A. Schäfer, C. Huber, R. Ahlrichs, J. Chem. Phys. 1994, 100, 5829-5835.
- (1994) J. Chem. Phys. , vol.100 , pp. 5829-5835
- Schäfer, A.¹ Huber, C.² Ahlrichs, R.³

81
- 82955202116
- Turbomole basis set library
- Turbomole basis set library,.

82
- 72449159337
- J. Neugebauer, C. Herrmann, S. Luber, M. Reiher, SNF 4.0-A Program for the Quantum Chemical Calculation of Vibrational Spectra,.
- SNF 4.0-A Program for the Quantum Chemical Calculation of Vibrational Spectra
- Neugebauer, J.¹ Herrmann, C.² Luber, S.³ Reiher, M.⁴

83
- 0037137638
- G. Brehm, M. Reiher, S. Schneider, J. Phys. Chem. A 2002, 106, 12024-12034.
- (2002) J. Phys. Chem. A , vol.106 , pp. 12024-12034
- Brehm, G.¹ Reiher, M.² Schneider, S.³

84
- 1242265568
- M. Reiher, G. Brehm, S. Schneider, J. Phys. Chem. A 2004, 108, 734-742.
- (2004) J. Phys. Chem. A , vol.108 , pp. 734-742
- Reiher, M.¹ Brehm, G.² Schneider, S.³

85
- 32044436123
- G. Brehm, M. Reiher, B. Le Guennic, M. Leibold, S. Schindler, F. W. Heinemann, S. Schneider, J. Raman Spectrosc. 2006, 37, 108-122.
- (2006) J. Raman Spectrosc. , vol.37 , pp. 108-122
- Brehm, G.¹ Reiher, M.² Le Guennic, B.³ Leibold, M.⁴ Schindler, S.⁵ Heinemann, F.W.⁶ Schneider, S.⁷

86
- 42649124598
- S. Luber, M. Reiher, Chem. Phys. 2008, 346, 212-223.
- (2008) Chem. Phys. , vol.346 , pp. 212-223
- Luber, S.¹ Reiher, M.²

87
- 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

88
- 0031584630
- R. Bauernschmitt, M. Häser, O. Treutler, R. Ahlrichs, Chem. Phys. Lett. 1997, 264, 573-578.
- (1997) Chem. Phys. Lett. , vol.264 , pp. 573-578
- Bauernschmitt, R.¹ Häser, M.² Treutler, O.³ Ahlrichs, R.⁴

89
- 0037159393
- F. Furche, R. Ahlrichs, J. Chem. Phys. 2002, 117, 7433-7447.
- (2002) J. Chem. Phys. , vol.117 , pp. 7433-7447
- Furche, F.¹ Ahlrichs, R.²

90
- 0037199578
- S. Grimme, F. Furche, R. Ahlrichs, Chem. Phys. Lett. 2002, 361, 321-328.
- (2002) Chem. Phys. Lett. , vol.361 , pp. 321-328
- Grimme, S.¹ Furche, F.² Ahlrichs, R.³

91
- 82955236571
- Jmol-An Open-Source Molecule Viewer
- Jmol-An Open-Source Molecule Viewer.

92
- 82955221097
- Matplotlib-A Python 2D Plotting Library
- Matplotlib-A Python 2D Plotting Library.

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