The normal vibrations of tetrahydrofuran and its deuterated derivatives

Normal coordinate analysis and vibrational spectra of adenosine

“…14,15 Because a complete set of valence force constant values for adenosine was not found in the literature, the problem of selecting a suitable force field was overcome by using the overlay technique, in which force constants are assumed to be transferable between related molecules or parts , and a minimum for adenine, assumed to be valid for the base residue, 9 from guanine for the glycosidic bond and of the potential energy hypersurface is found when the root mean square (RMS) gradient for all atoms C{N{H bonds, 16,17 5-dGMP, 12 and tetrahydrofuran (THF) 18 for the arabinose moiety. It was is É0.01 kcal mol 01 Å…”

Lattice vibrational modes of poly(rU) and poly(rA)

“…Diagonal angle bending constants for the ribose ring, as well as a number of interaction constants, were taken from a refinement of force constants for a CPv model of tetrahydrofuran (THF). 20 The force field for thc phosphate group was taken from a valence force field for HzP04-.z1 Other constants in the diester linkage were calculated by projecting a Urey-Bradlcy force field (UBFF)*Z for dimethyl phosphate23 onto a valence set of coordinates. The force constants describing the linkage between ribose and the base residue were taken from various sources, which are indicated in footnotes to the tables.…”

Facile preparation of β-/γ-MgH2 nanocomposites under mild conditions and pathways to rapid dehydrogenation

“…909 and 1070 cm -1 (Fig 3(b)). 31 With the possible exception of the Mg-H bending band centred at ca. 650 cm -1 , bands from the hydride are not discernible in this sample given the presence of THF.…”