Vibrational frequencies and structural determinations of divinyl sulfoxide.

We present a detailed analysis of the structure and infrared spectra of divinyl sulfoxide. The vibrational frequencies of the divinyl sulfoxide molecule were analyzed using standard quantum chemical techniques. Frequencies were calculated at the MP2 and DFT levels of theory using the standard 6-311G* basis set.

Correlation of structure and vibrational spectra of the zwitterion L-alanine in the presence of water: an experimental and density functional analysis.

Infrared vibrational spectra were collected along with the vibrational circular dichroism (VCD) spectra for the zwitterions alpha-D-alanine, alpha-L-alanine, alpha-D-mannose and alpha-L-mannose as potassium bromide (KBr) pressed samples. VCD for D- and L-alanine dissolved in water was also measured and compared against the spectra resulting from KBr pressed samples. The experimental data were compared against the ab initio B3LYP/6-31G* optimized geometry.

Vibrational frequencies and structural determinations of di-vinyl sulfone.

We present a detailed analysis of the structure and infrared spectra of di-vinyl sulfone. The vibrational frequencies of the di-vinyl sulfone molecule were analyzed using standard quantum chemical techniques. Frequencies were calculated at the MP2 and DFT levels of theory using the standard 6-311G* basis set.

An International Marine-Atmospheric Rn Measurement Intercomparison in Bermuda Part II: Results for the Participating Laboratories.

As part of an international measurement intercomparison of instruments used to measure atmospheric Rn, four participating laboratories made nearly simultaneous measurements of Rn activity concentration in commonly sampled, ambient air over approximately a 2 week period, and three of these four laboratories participated in the measurement comparison of 14 introduced samples with known, but undisclosed ("blind") Rn activity concentration. The exercise was conducted in Bermuda in October 1991. The Rn activity concentrations in ambient Bermudian air over the course of the intercomparison ranged from a few hundredths of a Bq · m to about 2 Bq · m, while the standardized sample additions covered a range from approximately 2.