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51. Khafizov K, Staritzbichler R, Stamm m, Forrest LR (2010) A study of the evolution of inverted-topology repeats from Leut-Fold transporters using Alignme. Biochem 49:10702–10713.
52. Zhou P, tian F, Zhang m, Li Z (2006) Applying generalized hydrophobicity scale of amino
acids to quantitative prediction of human leukocyte antigen-A*0201-restricted cytotoxic t
lymphocyte epitope. Chin Sci Bull 51:1439–1443
53. Nakanishi K, Berova N, Woody RW (eds) (2000) Circular dichroism: principles and Applications, 2nd edn. Wiley, New York
54. Berova N, Polavarapu PL, Nakanishi K, Woody RW (eds) (2012) Comprehensive chiroptical
spectroscopy, vol 1 and 2. Wiley, New Jersey
55. Nafie LA (2011) vibrational optical activity: principles and Applications, Wiley
56. Nafie LA, dukor RK, Freedman tB (2002) vibrational circular dichroism. In: Chalmers Jm,
griffiths PR (eds) handbook of vibrational spectroscopy. Wiley, Chichester, pp 731–744
57. Polavarapu PL (2006) Quantum mechanical predictions of chirooptical vibrational properties. Int J Quantum Chem 106:1809–1814
58. Polavarapu PL (2007) Renaissance in chiroptical spectroscopic methods for molecular structure determination. Chem Record 7:125–136
59. Polavarapu PL (2008) Why is it important to simultaneously use more than one chiroptical
spectroscopic method for determining the structures of chiral molecules. Chirality 20:664–672
60. Barron Ld (2004) molecular light scattering and optical activity, 2nd edn. Cambridge university Press, Cambridge
61. Autschbach J (2009) Computing chiroptical properties with first-principles theoretical methods: background and illustrative examples. Chirality 21:E116–E152
62. Freedman tB, Cao X, dukor RK, Nafie LA (2003) Absolute configuration determination of
chiral molecules in the solution state using vibrational circular dichroism. Chirality 15:743–758
63. Pecul m, Ruud K (2005) Ab initio calculations of vibrational Raman optical activity. Int J
Quantum Chem 104:816–829
64. Petrovic Ag, Navarro-vazquez A, Alonso-gomze J (2010) From relative to absolute configuration of complex natural products: interplay between NmR, ECd, vCd, and oRd assisted
by ab initio calculation. Curr org Chem 14:1612–1628.
65. Alkorta I, Elguero J (2009) Chirality and chirality recognition. In: Leszczynski J, Shukla mK
(eds) Practical aspects of computational chemistry, Springer Science, pp 37–83
66. Yang g, Xu Y (2011) vibrational circular dichroism spectroscopy of chiral molecules. In:
Naaman R, Beratan dN, Waldeck dh (eds) Electronic and magnetic properties of chiral
molecules and supramolecular architectures. Springer-verlag Berlin heidelberg, top Curr
Chem 298:189–236
67. Sadlej J, dobrowolski JC, Rode JE (2010) vCd spectroscopy as a novel probe for chirality
transfer in molecular interactions. Chem Soc Rev 39:1478–1488
68. magyarfalvi g, tarczay g, vass E (2011) vibrational circular dichroism, WIREs Comput
mol Sci 1:403–425
69. Buckingham Ad (ed) (1994) vibrational optical activity: from fundamentals to biological
applications. Faraday discuss 99
70. dudley RJ, mason F, Peacock Rd (1972) Infrared vibrational circular dichroism. J Chem
Soc. Chem Commun 1084–1085
71. Chabay I, hsu EC, holzwarth g (1972) Infrared circular dichroism measurement between
2000 and 5000 cm –1 : PrC3 tartrate complexes. Chem Phys Lett 15:211–214
72. holzwarth g, Chabay I (1972) optical activity in molecular vibrations: a coupled oscillator
model. J Chem Phys 57:1632–1635
73. Hsu EC, Holzwarth G (1973) Vibrational circular dichroism in crystalline α-NiSO 4 -6h 2 o
and α-ZnSeO 4 -6h 2 o between 1900 and 5000 cm
–1
. J Chem Phys 59:4678–4685
74. Barron Ld, Buckingham Ad (1975) Rayleigh and Raman optical activity. Annu Rev Phys
Chem 26:381–396
75. Buckingham Ad, Raab RE (1975) Electric-field-induced differential scattering of right and
left circularly polarized light. Proc R Soc Lond Ser A 345:365–377
76. Nafie LA, Keiderling tA, Stephens PJ (1976) vibrational circular dichroism. J Am Chem
Soc 98:2715–2723
152
51. Khafizov K, Staritzbichler R, Stamm m, Forrest LR (2010) A study of the evolution of inverted-topology repeats from Leut-Fold transporters using Alignme. Biochem 49:10702–10713.
52. Zhou P, tian F, Zhang m, Li Z (2006) Applying generalized hydrophobicity scale of amino
acids to quantitative prediction of human leukocyte antigen-A*0201-restricted cytotoxic t
lymphocyte epitope. Chin Sci Bull 51:1439–1443
53. Nakanishi K, Berova N, Woody RW (eds) (2000) Circular dichroism: principles and Applications, 2nd edn. Wiley, New York
54. Berova N, Polavarapu PL, Nakanishi K, Woody RW (eds) (2012) Comprehensive chiroptical
spectroscopy, vol 1 and 2. Wiley, New Jersey
55. Nafie LA (2011) vibrational optical activity: principles and Applications, Wiley
56. Nafie LA, dukor RK, Freedman tB (2002) vibrational circular dichroism. In: Chalmers Jm,
griffiths PR (eds) handbook of vibrational spectroscopy. Wiley, Chichester, pp 731–744
57. Polavarapu PL (2006) Quantum mechanical predictions of chirooptical vibrational properties. Int J Quantum Chem 106:1809–1814
58. Polavarapu PL (2007) Renaissance in chiroptical spectroscopic methods for molecular structure determination. Chem Record 7:125–136
59. Polavarapu PL (2008) Why is it important to simultaneously use more than one chiroptical
spectroscopic method for determining the structures of chiral molecules. Chirality 20:664–672
60. Barron Ld (2004) molecular light scattering and optical activity, 2nd edn. Cambridge university Press, Cambridge
61. Autschbach J (2009) Computing chiroptical properties with first-principles theoretical methods: background and illustrative examples. Chirality 21:E116–E152
62. Freedman tB, Cao X, dukor RK, Nafie LA (2003) Absolute configuration determination of
chiral molecules in the solution state using vibrational circular dichroism. Chirality 15:743–758
63. Pecul m, Ruud K (2005) Ab initio calculations of vibrational Raman optical activity. Int J
Quantum Chem 104:816–829
64. Petrovic Ag, Navarro-vazquez A, Alonso-gomze J (2010) From relative to absolute configuration of complex natural products: interplay between NmR, ECd, vCd, and oRd assisted
by ab initio calculation. Curr org Chem 14:1612–1628.
65. Alkorta I, Elguero J (2009) Chirality and chirality recognition. In: Leszczynski J, Shukla mK
(eds) Practical aspects of computational chemistry, Springer Science, pp 37–83
66. Yang g, Xu Y (2011) vibrational circular dichroism spectroscopy of chiral molecules. In:
Naaman R, Beratan dN, Waldeck dh (eds) Electronic and magnetic properties of chiral
molecules and supramolecular architectures. Springer-verlag Berlin heidelberg, top Curr
Chem 298:189–236
67. Sadlej J, dobrowolski JC, Rode JE (2010) vCd spectroscopy as a novel probe for chirality
transfer in molecular interactions. Chem Soc Rev 39:1478–1488
68. magyarfalvi g, tarczay g, vass E (2011) vibrational circular dichroism, WIREs Comput
mol Sci 1:403–425
69. Buckingham Ad (ed) (1994) vibrational optical activity: from fundamentals to biological
applications. Faraday discuss 99
70. dudley RJ, mason F, Peacock Rd (1972) Infrared vibrational circular dichroism. J Chem
Soc. Chem Commun 1084–1085
71. Chabay I, hsu EC, holzwarth g (1972) Infrared circular dichroism measurement between
2000 and 5000 cm –1 : PrC3 tartrate complexes. Chem Phys Lett 15:211–214
72. holzwarth g, Chabay I (1972) optical activity in molecular vibrations: a coupled oscillator
model. J Chem Phys 57:1632–1635
73. Hsu EC, Holzwarth G (1973) Vibrational circular dichroism in crystalline α-NiSO 4 -6h 2 o
and α-ZnSeO 4 -6h 2 o between 1900 and 5000 cm
–1
. J Chem Phys 59:4678–4685
74. Barron Ld, Buckingham Ad (1975) Rayleigh and Raman optical activity. Annu Rev Phys
Chem 26:381–396
75. Buckingham Ad, Raab RE (1975) Electric-field-induced differential scattering of right and
left circularly polarized light. Proc R Soc Lond Ser A 345:365–377
76. Nafie LA, Keiderling tA, Stephens PJ (1976) vibrational circular dichroism. J Am Chem
Soc 98:2715–2723