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Chemicals, plastics and rubber industries

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Determining the conformer populations of (R)-(+)-3-methylcyclopentanone using vibrational absorption, vibrational circular dichroism, and specific rotation

Article Abstract:

The conformer populations of (R)-(+)-3-methylcyclopentanone is determined using experimental and predicted vibrational absorption spectra, vibrational circular (VCD) spectra, and specific rotation. The populations determined from experimental and predicted vibrational intensities are associated with large errors as the predicted vibrational intensities even with large basis sets are not sufficiently close to the experimental intensities.

Author: Polavarapu, Prasad L., He, Jiangtao, Petrovic, Ana G.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Cyclic compounds, Vibrational spectra, Atomic properties, Methyl groups, Methyl compounds

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Structural transitions in polyribocytidylic acid induced by changes in pH and temperature: Vibrational circular dichroism study in solution and film states

Article Abstract:

A study reported changes in vibrational absorption and vibrational circular dichroism (VCD) spectra of polyribocytidylic acid (polyC) in buffered D2O solution as a function of pH and temperature. The pH-dependent changes in the absorption and VCD spectra of polyC films show similarity to those observed for the polyC in solution.

Author: Polavarapu, Prasad L., Petrovic, Ana G.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
RNA, X-rays, X-ray diffraction, pH measurement, Circular dichroism

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Structural transitions in polyriboadenylic acid induced by the changes in pH and temperature: Vibrational circular dichroism study in solution and film states

Article Abstract:

The changes in vibrational absorption and vibrational circular dichroism (VCD) spectral features with structural changes of polytiboadenylic acid (polyA) as a function of pH are reported. The infrared absorption and VCD spectral changes are reported in both solution and film states.

Author: Polavarapu, Prasad L., Petrovic, Ana G.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
Absorption, pH, Adenylic acid, Adenosine monophosphate

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Subjects list: Analysis, Hydrogen-ion concentration, Chemical properties
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