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A Valence Force Field for Furan and Pyrrole and Their Deuterium and Methyl Derivatives.

Authors
Scott-DW
Source
J Molecular Spectroscopy 1971 Jan; 37(1):77-91
Link
NIOSHTIC No.
10010527
Abstract
A molecular vibrational analysis was carried out for furan and pyrrole and their deuterium and methyl derivatives to establish vibrational assignments for use in statistical thermodynamic calculations. To insure convergence in the least-squares adjustment of force constants, interaction constants were assumed transferable between the furan and pyrrole rings, and observed wave-numbers of the two compounds and their derivatives were used in a single adjustment.
Publication Date
19710101
Document Type
OP;
Fiscal Year
1971
NTIS Accession No.
NTIS Price
Identifying No.
OP 69-71
Issue of Publication
1
NIOSH Division
BERC;
Source Name
J. Molecular Spectroscopy, V. 37, No. 1, Jan. 1971, PP. 77-91
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