The title compound, C(23)H(35)BrO(3), synthesized by esterification and bromination of isosteviol, comprises a fused four-ring system. Two of the six-membered rings adopt a regular chair conformation, whereas the remaining six-membered ring is an unsymmetrical distorted chair. The stereochemistry at the two six-membered ring junctions is trans, while the five-membered ring adopts an envelope co...

Rapid coherent control of electron spin states is required for implementation of a spin-based quantum processor. We demonstrated coherent control of electronic spin states in a double quantum dot by sweeping an initially prepared spin-singlet state through a singlet-triplet anticrossing in the energy-level spectrum. The anticrossing serves as a beam splitter for the incoming spin-singlet state....

We derive gap equations for superconductivity in coexistence with ferromagnetism. We treat singlet states and triplet states with either equal spin pairing (ESP) or opposite spin pairing (OSP) states, and study the behaviour of these states as a function of exchange splitting. For the s-wave singlet state we find that our gap equations correctly reproduce the Clogston–Chandrasekhar limiting beh...

The intersystem crossing rate for the transition between the lowest excited singlet and triplet electronic states of uracil was studied by means of ab initio methods. The rate was evaluated using the time-dependent approach based on the correlation function and its two approximations: the second-order cumulant expansion and the short-time approximation. The normal modes of the singlet and tripl...

The condensation of magnetic quasiparticles into the nonmagnetic ground state has been used to explain novel magnetic ordering phenomena observed in quantum spin systems. We present neutron scattering results across the pressure-induced quantum phase transition and for the novel ordered phase of the magnetic insulator TlCuCl3, which are consistent with the theoretically predicted two degenerate...

The mechanism of carbonyl substitution in [Fe(Ind)(CO)(2)I] (Ind = C(9)H(7)(-), indenyl) by P(OMe)(3) was investigated by means of DFT calculations. The most favourable path involves a spin crossover of the complex from the ground state singlet to the triplet potential energy surface (S = 1), followed by dissociative loss of CO, and phosphite addition to the coordinatively unsaturated intermedi...

In the title compound, C(15)H(16)BrNO(3)S, the boat form of the six-membered ring is almost symmetrical with respect to the ep-oxy bridge. The two five-membered rings generated by the ep-oxy bridge of the six-membered ring adopt envelope conformations, whereas the N-containing five-membered ring adopts a twisted conformation. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds.

The mechanisms that are responsible for the rapid deactivation of the (1)npi and( 1)pipi excited singlet states of the 9H isomer of adenine have been investigated with multireference ab initio methods (complete-active-space self-consistent-field (CASSCF) method and second-order perturbation theory based on the CASSCF reference (CASPT2)). Two novel photochemical pathways, which lead to conical i...

Using the quasiclassical Green’s function formalism, we study the influence of the odd-frequency spin-triplet superconductivity on the local density of states LDOS in a diffusive ferromagnet DF attached to a superconductor. Various possible symmetry classes in a superconductor are considered which are consistent with the Pauli’s principle: even-frequency spin-singlet even-parity ESE state, even...