✍ Scribed by Thor Gramstad
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Al1 quadratic, cubicand quartic force constantsassociated with the VF\_H and VF\_H.\_\_O stretching of F-H---OH+ have been computed employing the confiiuratbn interaction approach. The contribution of quadrupole excitations was also estimated. The Y~\_\_~, ZJ~H.. .Q modes and the deuterated analogui
## Abstract **A series of** hydrogen‐abstraction barriers of a nonheme iron(IV)–oxo oxidant mimicking the active species of taurine/α‐ketoglutarate dioxygenase (TauD) are rationalized by using a valence‐bond curve‐crossing diagram (see figure). It is shown that the barriers correlate with the stren
The C=O bond length and fc=o,c=o, the corresponding harmonic stretching force constant, are calculated ab initio using the 4-31G basis set (augmented by polarization functions on the sulfur and chlorine) with full geometry optimization for the monosubstituted carbonyl compounds RCHO, where R = H, CH