Structure revision of the recently characterized natural products, decurrensides A-E, is described. The revision is aided by fast and accurate computations of proton spin-spin coupling constants. While the (13)C chemical shifts calculations could reveal the misassignment of the original structures, the calculated spin coupling constants possess much higher structural information content, inform...

We study electron-spin-photon coupling in a single-spin double quantum dot embedded in a superconducting stripline cavity. With an external magnetic field, we show that either a spin-orbit interaction (for InAs) or an inhomogeneous magnetic field (for Si and GaAs) could produce a strong spin-photon coupling, with a coupling strength of the order of 1 MHz. With an isotopically purified Si double...

The potential energy surface of the simplest carbohydrate, glycolaldehyde, was investigated at the secondorder Møller-Plesset (MP2) level of theory, and the rotation barriers between them were calculated. Four local minima and six transition states were found. Next, the conformational dependence of the indirect nuclear spin-spin coupling constants was studied by means of density functional theo...

We present a rigorous derivation of the nuclear spin-rotation and spin-torsion coupling terms in the hyperfine Hamiltonian for molecules with internal rotation. Our formulas differ from the expressions derived by Heuvel and Dymanus [J. Mol. Spectrosc. 47, 363 (1973)], which these authors used and which were also applied recently by others to interpret experimental hyperfine spectra of such mole...

The richness of dynamical behavior exhibited by the rotational states of various solar system objects has driven significant advances in the theoretical understanding of their evolutionary histories. An important factor that determines whether a given object is prone to exhibiting non-trivial rotational evolution is the extent to which such an object can maintain a permanent aspheroidal shape, ...