in this study we have tested the ability of a standard dft computational protocol to reproduce the experimentally obtained stereoselectivity of 26 different c2-symmetric zirconocene catalysts active in propylene polymerization. the catalysts were chosen for their relevance in metallocene catalyzed polymerization of propylene. to this end, primary insertion of both si- and re-propylene enantiofa...

considering a temperature dependent two-level quantum system, we have numerically solved the landau-zener transition problem. the method includes the incorporation of temperature effect as a thermal noise added schrödinger equation for the construction of the hamiltonian. here, the obtained results which describe the changes in the system including the quantum states and the transition probabil...

Proteins are known to undergo a dynamical transition at around 200 K but the underlying mechanism, physical origin, and relationship to water are controversial. Here we report an observation of a protein dynamical transition as low as 110 K. This unexpected protein dynamical transition precisely correlated with the cryogenic phase transition of water from a high-density amorphous to a low-densi...

concept analysis of transition from nursing student to clinical nurse: rodgers' evolutionary concept analysis     rafieef [1] , sajadihezaveh m [2] *     received: 21 feb, 2012 accepted: 27apr, 2012     abstract   background &aims; : the transition from nursing student to clinical nursing is a major challenge.the aim of this study was to clarify concept of transition in new graduate nursin...