We report a new global potential energy surface of the HOCO system based on the F12 correction of unrestricted coupled-cluster with singles doubles and approximative triples using the augmented correlation-consistent polarized valence triple-zeta basis set (UCCSD(T)-F12/AVTZ), fitted by using the neural networks. Quantum dynamics calculations confirmed the satisfactory convergence of surface wi...

Magnetic excitations of the quasi-1D S = 1/2 Heisenberg antiferromagnet (HAF) Cs2CuCl4 have been measured as a function of magnetic field using neutron scattering. For T < 0.62 K and B=0 T the weak inter-chain coupling produces 3D incommensurate ordering. Fields greater than BC =1.66 T, but less than the field ( ≃ 8 T) required to fully align the spins, are observed to decouple the chains, and ...

Analyzing a novel dataset we find significantly positive effects of basic, and applied and experimental knowledge stocks on domestic output and productivity for a panel of 10 OECD countries. This letter updates the work of, among others, Mansfield (1980), Griliches (1986) and Adams (1990), at an international setting. JEL Classification: F12: F2: O3.

Monoclonal antibodies were produced by murine hybridomas after immunization with semipurified baboon endogenous virus. In a solid-phase radioimmunoassay, two antibodies (F12-9 and B9-18) reacted with viral antigen only. The antibodies A6-8 and C9-12 also reacted with virus-producing cells but not with control cells, whereas antibodies E4-6 and D12-2 bound to virus-free cells as well. The cytofl...

PURPOSE To establish and characterize a novel untransfected corneal endothelial cell line from New Zealand white rabbits (NRCE cell line) for studies on corneal endothelial cells. METHODS Primary culture was initiated with a pure population of NRCE cells from corneal endothelia by successive detachment and reattachment procedure of different durations, and cultured in 20% fetal bovine serum-c...

Accurate barrier heights are obtained for the 26 pericyclic reactions in the BHPERI dataset by means of the high-level Wn-F12 thermochemical protocols. Very often, the complete basis set (CBS)-type composite methods are used in similar situations, but herein it is shown that they in fact result in surprisingly large errors with root mean square deviations (RMSDs) of about 2.5 kcal mol(-1). In c...

Data from the scientific literature on current state of spread dependence psychoactive substances plant origin – cannabinoids was processed. The problem cannabinoid addiction has been studied. Forensic and pharmaceutical practice analyzed. development organizational measures in order to provide drug patients with (F12) a comprehensive approach substantiated. peculiarities pharmacotherapy availa...