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204. Lüdeke S, Pfeifer m, Fischer P (2011) Quantum-cascade laser-based vibrational circular
dichroism. J Am Chem Soc 133:5704–5707
205. Faist J, Capasso F, Sivco dL, Sirtori C, hutchinson AL, Cho AY (1994) Quantum cascade
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206. Kapitán J, Baumruk V, Kopecký V Jr, Pohl R, Bouř P (2006) Proline zwitterion dynamics
in solution, glass, and crystalline state. J Am Chem Soc 128:13451–13462
158
184. Wang F, Polavarapu PL (2001) temperature influence on the secondary structure of avidin and avidin-biotin complex: a vibrational circular dichroism study. J Phys Chem B
105:7857–7864
185. Noda I (2008) Recent advancement in the field of two-dimensional correlation spectroscopy. J mol Struct 883–884:2–26
186. Ryu SR, Czarnik-matusewicz B, dukor RK, Nafie LA, Jung Ym (2012) Analysis of the
molten globule state of bovine α-lactalbumin by using vibrational circular dichroism. Vib
Spectrosc 60:68–72
187. Ashton L, Barron Ld, Czarnik-matusewicz B, hecht L, hyde J, Blanch EW (2005) twodimensional correlation analysis of Raman optical activity data on the alpha-helix-to-betasheet transition in poly(L-lysine). mol Phys 104:1429–1445
188. Pazderka t, Kopecký v Jr (2012) two-dimensional correlation analysis of Raman optical
activity—basic rules and data treatment. vib Spectrosc 60:193–199
189. Sadlej J (1985) Semi-empirical methods of quantum chemistry. PWN Warsaw, Ellis-horwood, Chichester
190. degtyarenko Im, Jalkanen KJ, gurtovenko AA, Nieminen Rm (2007) L-alanine in a droplet
of water: a density-functional molecular dynamics study. J Phys Chem B 111:4227–4234
191. mullin Jm, gordon mS (2009) Alanine: then there was water. J Phys Chem B 113:8657–
8669
192. Jalkanen KJ, Suhai S, Bohr hg (2009) Quantum molecular biological methods using density functional theory. In: Encyclopedia of applied physics
193. hecht L, Barron Ld, hug W (1989) vibrational Raman optical activity in backscattering.
Chem Phys Lett 158:341–344
194. Barron Ld, gargaro AR, hecht L, Polavarapu PL (1992) vibrational Raman optical activity
of alanine as a function of ph. Spectrochim Acta 48A:261–263
195. Yu g-S, Freedman tB, Nafie LA, deng Z, Polavarapu PL (1995) Experimental measurement and ab initio calculation of Raman optical activity of L-alanine and its deuterated
isotopomers. J Am Chem Soc 99:835–843
196. Nafie LA (1996) vibrational optical activity. Appl Sppectr 50:14A–26A
197. Jalkanen KJ, Nieminen Rm, Frimand K, Bohr J, Bohr h, Wade RC, tajkhorshid E, Suhai S
(2001) A comparison of aqueous solvent models used in the calculation of the Raman and
RoA spectra of L-alanine. Chem Phys 265:125–151
198. Kapitán J, Baumruk V, Kopecký V Jr, Bouř P (2006) Conformational flexibility of L-alanine zwitterion determines shapes of Raman and Raman optical activity spectral bands. J
Phys Chem A 110:4689–4696
199. Daněček P, Kapitán J, Baumruk V, Bednárová L, Kopecký V Jr, Bouř P (2007) Anharmonic
effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.
J Chem Phys 126:224513–526
200. Fang Y, Wua g, Wang P (2012) the asymmetry of the differential bond polarizabilities in
the Raman optically active (+)-(R)-methyloxirane and L-alanine. Chem Phys 393:140–147
201. Cappelli C, monti S, Rizzo A (2005) Effect of the environment on vibrational infrared and
circular dichroism spectra of (S)-Proline. Int J Quantum Chem 104:744–757
202. hahn S, Lee h, Cho m (2004) theoretical calculations of infrared absorption, vibrational
circular dichroism, and two-dimensional vibrational spectra of acetylproline in liquids water and chloroform. J Chem Phys 121:1849–65
203. Lee KK, hahn S, oh KI, Choi JS, Joo C, Lee h, han h, Cho m (2006) Structure of Nacetylproline amide in liquid water: experimentally measured and numerically simulated
infrared and vibrational circular dichroism spectra. J Phys Chem B 110:18834–18843
204. Lüdeke S, Pfeifer m, Fischer P (2011) Quantum-cascade laser-based vibrational circular
dichroism. J Am Chem Soc 133:5704–5707
205. Faist J, Capasso F, Sivco dL, Sirtori C, hutchinson AL, Cho AY (1994) Quantum cascade
laser. Science 264:553–556.
206. Kapitán J, Baumruk V, Kopecký V Jr, Pohl R, Bouř P (2006) Proline zwitterion dynamics
in solution, glass, and crystalline state. J Am Chem Soc 128:13451–13462