๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Beam maser measurement of deuterium quadrupole coupling in CD2F2

โœ Scribed by A.C. Nelson; S.G. Kukolich; D.J. Ruben

Book ID
107801604
Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
273 KB
Volume
51
Category
Article
ISSN
0022-2852

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Measurement of deuterium quadrupole coup
Measurement of deuterium quadrupole coupling in CH3OD
โœ K.H. Casleton; S.G. Kukolich ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 295 KB

K = 1 + 0 transitions in CHsOD for / = 1, 2, 3 and 4 E,-type states were measured using a beam maser spectrometer with 6 kHz linewidth (fwhm). Analysis of J = 1 and / = 2 spectra provided a deuterium quadrupole coupling strength along the O-D bond di?ection of eqzzQ = 303 i 12 kHz.

B3LYP Calculation of Deuterium Quadrupol
B3LYP Calculation of Deuterium Quadrupole Coupling Constants in Molecules
โœ William C. Bailey ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 107 KB

The B3LYP/6-31G(df,3p) model for the calculation of deuterium nuclear quadrupole coupling constants (nqcc's) is shown to yield results as accurate as calculations previously performed at the MP4 level of theory. For 25 molecules, ranging from HD and DF to pyridine and fluorobenzene, the rms differen