Vibrational Frequency Isotope Shifts for SO3.

Vibrational frequency shifts in dense molecular fluids

Vibrational frequency shifts and relaxation rates for a selected vibrational mode in cytochrome C.

The vibrational energy relaxation of a selected vibrational mode in cytochrome c--a C-D stretch in the terminal methyl group of Met80--has been studied using equilibrium molecular dynamics simulation and normal mode analysis methods. As demonstrated in the pioneering work of Romesberg and co-workers, isotopic labeling of the C-H (to C-D) stretch in alkyl side chains shifts the stretching freque...

Structures, energetics and vibrational frequency shifts of hydrated pyrimidine.

More than 70 unique micro-hydrated structures of pyrimidine, ranging in size from 1 to 7 water molecules, have been characterized with the B3LYP density functional and the 6-311++G(2df,2pd) triple-ζ split-valence basis set. Explicitly correlated MP2-F12 single-point computations were performed on each structure with a correlation consistent triple-ζ basis set to estimate the relative and dissoc...

Dielectronic resonance method for measuring isotope shifts.

Long standing problems in the comparison of very accurate hyperfine-shift measurements to theory were partly overcome by precise measurements on few-electron highly charged ions. Still the agreement between theory and experiment is unsatisfactory. In this Letter, we present a radically new way of precisely measuring hyperfine shifts, and demonstrate its effectiveness in the case of the hyperfin...

Isotope Shifts in Francium Isotopes

We present the isotope shifts of the 7s1/2 to 7p1/2 transition for francium isotopes 206−213Fr with reference to 221Fr collected from two experimental periods. The shifts are measured on a sample of atoms prepared within a magneto-optical trap by a fast sweep of radio-frequency sidebands applied to a carrier laser. King plot analysis, which includes literature values for 7s1/2 to 7p3/2 isotope ...