The TB-LMTO-ASA method is reviewed and generalized to an accurate and robust TB-NMTO minimal-basis method, which solves Schrödinger’s equation to Nth order in the energy expansion for an overlapping MT-potential, and which may include any degree of downfolding. For N = 1, the simple TBLMTO-ASA formalism is preserved. For a discrete energy mesh, the NMTO basis set may be given as: χ (r) = ∑ n φ ...

Unactivated acyclic internal aliphatic olefins are often found to be unreactive in conventional alkenylation reactions. To address this problem, a cobalt catalyzed allylic selective dehydrogenative Heck reaction with internal aliphatic olefins has been developed. The method is highly regioand stereoselective, the conditions are mild and a wide variety of functional groups can be tolerated. Rema...

This study re-analyzed data on adolescent health outcomes (N = 1780; M age = 15.15, SD = 2.30) from a 5-year evaluation of the Moving to Opportunity (MTO) Program. The MTO program is a randomized experiment conducted in five cities in the United States (Baltimore, Boston, Chicago, Los Angeles and New York) in which low-income families living in public housing in 'high-poverty' neighborhoods wer...

OBJECTIVE Leverage an experimental study to determine whether gender or recent crime victimization modify the mental health effects of moving to low-poverty neighborhoods. METHODS The Moving to Opportunity (MTO) study randomized low-income families in public housing to an intervention arm receiving vouchers to subsidize rental housing in lower-poverty neighborhoods or to controls receiving no...

Klapötke and co-workers recently designed two new materials, 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N), envisioned as candidates for green highenergy materials. However, all attempts at synthesis have failed. In order to validate the expected properties for these systems and to determine why these materials are too unstable to sy...

Myotonia is a symptom of various genetic and acquired skeletal muscular disorders and is characterized by hyperexcitability of the sarcolemma. Here, we have performed a comparative proteomic study of the genetic mouse models ADR, MTO and MTO*5J of human congenital myotonia in order to determine myotonia-specific changes in the global protein complement of gastrocnemius muscle. Proteomic analyse...

Originating from the weak interaction, parity violation in chiral molecules has been considered as a possible origin of biohomochirality. We have proposed the observation of molecular parity violation using the two-photon Ramsey fringes technique on a supersonic beam. As a first step in this direction, a detailed spectroscopic study of methyltrioxorhenium (MTO) has been undertaken. It is an ide...