157 articles for the search > VCD

Deducing the molecular properties of zwitterionic, protonated, deprotonated, and double-deprotonated forms of L-cysteine from vibrational spectroscopy (IR, Raman, VCD) and quantum chemical calculations

2013 /

The behavior of L-cysteine (C3H7NO2S, (2R)-2- amino-3-sulfanylpropanoic acid) in water at different pH values was analyzed both experimentally and theoretically. …

Leah Pandiscia, PhD

Deducing the molecular properties of zwitterionic, protonated, deprotonated, and double-deprotonated forms of L-cysteine from vibrational spectroscopy (IR, Raman, VCD) and quantum chemical calculations

2013 / Journal of Molecular Modeling

The behavior of L-cysteine (C3H7NO2S, (2R)-2- amino-3-sulfanylpropanoic acid) in water at different pH values was analyzed both experimentally and theoretically. …

Carlos Morillo

Deducing the molecular properties of zwitterionic, protonated, deprotonated, and double-deprotonated forms of L-cysteine from vibrational spectroscopy (IR, Raman, VCD) and quantum chemical calculations

2013 /

The behavior of L-cysteine (C3H7NO2S, (2R)-2- amino-3-sulfanylpropanoic acid) in water at different pH values was analyzed both experimentally and theoretically. …

Leah Pandiscia, PhD

pH Dependent Chiroptical Properties of (1R,2R)- and (1S,2S)-trans-Cyclohexane Diesters and Diamides from VCD, ECD, and CPL Spectroscopy

2016 / Journal of Physical Chemistry B

Diesters of (1R,2R)- and (1S,2S)-cyclohexanediols and diamides of (1R,2R)- and (1S,2S)-diaminocyclohexane with p-hydroxycinnamic acid have been known for some time to …

Leah Pandiscia, PhD

Conformational landscape and hydrogen bonding in (S)-(−)-perillyc acid: experimental VCD, IR, Raman, and theoretical DFT studies

2012 / Tetrahedron: Asymmetry

(S)-(−)-Perillyc acid (4-isopropenylcyclohexene-1-carboxylic acid) is an intermediate in the limonene and pinene pathway degradation and its measurement in urine is …

Leah Pandiscia, PhD

Conformational preference of a chiral terpene: vibrational circular dichroism (VCD), infrared and Raman study of S-(−)-limonene oxide

2009 / Physical Chemistry Chemical Physics

S-(−)-Limonene oxide (4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane) is a secondary metabolite and an atmospheric pollutant product of oxidation of other terpenes, such as limonene and α-pinene, among others. For the first …

Leah Pandiscia, PhD

Conformational landscape and hydrogen bonding in (S)-(−)-perillyc acid: experimental VCD, IR, Raman, and theoretical DFT studies

2012 / Tetrahedron: Asymmetry

(S)-(−)-Perillyc acid (4-isopropenylcyclohexene-1-carboxylic acid) is an intermediate in the limonene and pinene pathway degradation and its measurement in urine is …

Carlos Morillo

Conformational landscape and hydrogen bonding in (S)-(−)-perillyc acid: experimental VCD, IR, Raman, and theoretical DFT studies

2012 / Tetrahedron: Asymmetry

(S)-(−)-Perillyc acid (4-isopropenylcyclohexene-1-carboxylic acid) is an intermediate in the limonene and pinene pathway degradation and its measurement in urine is …

Leah Pandiscia, PhD

Chiral terpenes in different phases: R-(−)-camphorquinone studied by IR–Raman–VCD spectroscopies and theoretical calculations

2011 / Structural Chemistry

R-(−)-camphorquinone is a bicyclical terpenoid with many usages and application in different fields. Different experimental and theoretical works reveal that …

Leah Pandiscia, PhD