5 α-Amino Acids In Water: A Review of VCD and ROA Spectra
157
164. Rode JE, dobrowolski JCz, Sadlej J (2011) Phenylisoserine in the gas-phase and water: Ab
initio studies on neutral and zwitterion conformers. J mol model 17:961–970
165. tanaka t, Kodama tS, morita hE, ohno t (2006) Electronic and vibrational circular dichroism of aromatic amino acids by density functional theory. Chirality 18:652–661
166. Fabisiewicz Z (2012) the vibrational circular dichroism of alanine in heavy water—theory
and experiment, BSc thesis under the supervision of Pecul m, and under the care of Kaminski m, university of Warsaw, Warsaw
167. diem m, Cotkin PJ, Kupfer Jm, tindall AP, Nafie LA (1977) vibrational circular dichroism
in amino acids and peptides. 1. Alanine. J Am Chem Soc 99:8103–8104
168. diem m, gotkin PJ, Kupfer Jm, Nafie LA (1978) vibrational circular dichroism in amino
acids and peptides. 2. Simple alanyl peptides. J Am Chem Soc 100:5644–5650
169. diem m, Photos E, Khouri h, Nafie LA (1979) vibrational circular dichroism in amino
acids and peptides. 3. Solution- and solid-phase spectra of alanine and serine. J Am Chem
Soc 101:6829–6837
170. Freedman tB, diem m, Polavarapu PL, Nafie LA (1982) vibrational circular dichroism in
amino acids and peptides. 6. Localized molecular orbital calculations of the Carbon-hydrogen stretching vibrational circular dichroism in deuterated isotopomers of alanine. J Am
Chem Soc 104:3343–3349
171. diem m, Polavarapu PL, oboodi mR, Nafie LA (1982) vibrational circular dichroism in
amino acids and peptides. 4. vibrational analysis, assignments, and solution-phase Raman
spectra of deuterated isotopomers of alanine. J Am Chem Soc 104:3329–3336
172. Lal BB, diem m, Polavarapu PL, oboodi mR, Freedman tB, Nafie LA (1982) vibrational
circular dichroism in amino acids and peptides. 5. Carbon-hydrogen stretching vibrational
circular dichroism and fixed partial charge calculations for deuterated isotopomers of alanine. J Am Chem Soc 104:3336–3342
173. oboodi mR, Lal BB, Young dA, Freedman tB, Nafie LA (1985) vibrational circular dichroism in amino acids and peptides. 9. Carbon-hydrogen stretching spectra of the amino
acids and selected transition metal complexes. J Am Chem Soc 107:1547–1556
174. diem m (1988) Infrared vibrational circular dichroism of alanine in the mid-infrared region: isotopic effects. J Am Chem Soc 110:6967–6970
175. Ellzy mW, Jensen Jo, hameka hF, Kay Jg (2003) Correlation of structure and vibrational
spectra of the zwitterion L-alanine in the presence of water: an experimental and density
functional analysis. Spectrochim Acta 59A:2619–2633
176. ma S, Freedman tB, Cao X, Nafie LA (2006) two-dimensional vibrational circular dichroism correlation spectroscopy: ph-induced spectral changes in L-alanine. J mol Struct
799:226–238
177. Freedman tB, Nafie LA (1983) vibrational optical activity calculations using infrared and
Raman atomic polar tensors. J Chem Phys 78:27–31
178. Freedman tB, Nafie LA (1983) Erratum: vibrational optical activity calculations using infrared and Raman atomic polar tensors [J. Chem. Phys. 78, 27 (1983)] J Chem Phys 79:1104
179. Nafie LA, Yu gS, Qu X, Freedman tB (1994) Comparison of IR and Raman forms of
vibrational optical activity. Faraday discuss 99:13–34
180. gontrani L, mennucci B, tomasi J (2000) glycine and alanine: a theoretical study of solvent effects upon energetics and molecular response properties. J mol Struct (theochem)
500:113–127
181. tajkhorshid E, Jalkanen KJ, Suhai S (1998) Structure and vibrational spectra of the zwitterion L-alanine in the presence of explicit water molecules: a density functional analysis. J
Phys Chem B 102:5899–5913
182. Frimand K, Bohr h, Jalkanen KJ, Suhai S (2000) Structures, vibrational absorption and
vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional
theory and RhF study. Chem Phys 255:165–194
183. Abdali S, Jalkanen KJ, Bohr h, Suhai S, Nieminen Rm (2002) the vA and vCd spectra of
various isotopomers of L-alanine in aqueous solution. Chem Phys 282:219–235
157
164. Rode JE, dobrowolski JCz, Sadlej J (2011) Phenylisoserine in the gas-phase and water: Ab
initio studies on neutral and zwitterion conformers. J mol model 17:961–970
165. tanaka t, Kodama tS, morita hE, ohno t (2006) Electronic and vibrational circular dichroism of aromatic amino acids by density functional theory. Chirality 18:652–661
166. Fabisiewicz Z (2012) the vibrational circular dichroism of alanine in heavy water—theory
and experiment, BSc thesis under the supervision of Pecul m, and under the care of Kaminski m, university of Warsaw, Warsaw
167. diem m, Cotkin PJ, Kupfer Jm, tindall AP, Nafie LA (1977) vibrational circular dichroism
in amino acids and peptides. 1. Alanine. J Am Chem Soc 99:8103–8104
168. diem m, gotkin PJ, Kupfer Jm, Nafie LA (1978) vibrational circular dichroism in amino
acids and peptides. 2. Simple alanyl peptides. J Am Chem Soc 100:5644–5650
169. diem m, Photos E, Khouri h, Nafie LA (1979) vibrational circular dichroism in amino
acids and peptides. 3. Solution- and solid-phase spectra of alanine and serine. J Am Chem
Soc 101:6829–6837
170. Freedman tB, diem m, Polavarapu PL, Nafie LA (1982) vibrational circular dichroism in
amino acids and peptides. 6. Localized molecular orbital calculations of the Carbon-hydrogen stretching vibrational circular dichroism in deuterated isotopomers of alanine. J Am
Chem Soc 104:3343–3349
171. diem m, Polavarapu PL, oboodi mR, Nafie LA (1982) vibrational circular dichroism in
amino acids and peptides. 4. vibrational analysis, assignments, and solution-phase Raman
spectra of deuterated isotopomers of alanine. J Am Chem Soc 104:3329–3336
172. Lal BB, diem m, Polavarapu PL, oboodi mR, Freedman tB, Nafie LA (1982) vibrational
circular dichroism in amino acids and peptides. 5. Carbon-hydrogen stretching vibrational
circular dichroism and fixed partial charge calculations for deuterated isotopomers of alanine. J Am Chem Soc 104:3336–3342
173. oboodi mR, Lal BB, Young dA, Freedman tB, Nafie LA (1985) vibrational circular dichroism in amino acids and peptides. 9. Carbon-hydrogen stretching spectra of the amino
acids and selected transition metal complexes. J Am Chem Soc 107:1547–1556
174. diem m (1988) Infrared vibrational circular dichroism of alanine in the mid-infrared region: isotopic effects. J Am Chem Soc 110:6967–6970
175. Ellzy mW, Jensen Jo, hameka hF, Kay Jg (2003) Correlation of structure and vibrational
spectra of the zwitterion L-alanine in the presence of water: an experimental and density
functional analysis. Spectrochim Acta 59A:2619–2633
176. ma S, Freedman tB, Cao X, Nafie LA (2006) two-dimensional vibrational circular dichroism correlation spectroscopy: ph-induced spectral changes in L-alanine. J mol Struct
799:226–238
177. Freedman tB, Nafie LA (1983) vibrational optical activity calculations using infrared and
Raman atomic polar tensors. J Chem Phys 78:27–31
178. Freedman tB, Nafie LA (1983) Erratum: vibrational optical activity calculations using infrared and Raman atomic polar tensors [J. Chem. Phys. 78, 27 (1983)] J Chem Phys 79:1104
179. Nafie LA, Yu gS, Qu X, Freedman tB (1994) Comparison of IR and Raman forms of
vibrational optical activity. Faraday discuss 99:13–34
180. gontrani L, mennucci B, tomasi J (2000) glycine and alanine: a theoretical study of solvent effects upon energetics and molecular response properties. J mol Struct (theochem)
500:113–127
181. tajkhorshid E, Jalkanen KJ, Suhai S (1998) Structure and vibrational spectra of the zwitterion L-alanine in the presence of explicit water molecules: a density functional analysis. J
Phys Chem B 102:5899–5913
182. Frimand K, Bohr h, Jalkanen KJ, Suhai S (2000) Structures, vibrational absorption and
vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional
theory and RhF study. Chem Phys 255:165–194
183. Abdali S, Jalkanen KJ, Bohr h, Suhai S, Nieminen Rm (2002) the vA and vCd spectra of
various isotopomers of L-alanine in aqueous solution. Chem Phys 282:219–235