Graphane is a layered material consisting of sheet hydrogenated graphene, with C:H ratio 1:1. We study isotopic effects in the properties chair graphane, where H atoms alternate chairlike arrangement on both sides carbon layer. use path-integral molecular dynamics simulations, which allows one to analyze influence nuclear quantum equilibrium variables materials. Finite-temperature graphane are ...

ab initio calculation at hf/6-31g* level of theory for geometry optimization and mp2/6-31g*//hf/6-31g* for a single point total energy calculation are reported for the important energyminimumconformations and transition-state geometries of of cyclodeca-1,2,3-triene (1). the mostfavorable conformation of 1 is a unsymmetrical twist-chair (1-tc) structure. degenerateinterconversion of 1-tc with it...

The International Society of Computational Biology presents: the Great Lakes Bioinformatics Conference, May 16–18, 2014, Cincinnati, Ohio Jim Cavalcoli, Lonnie Welch, Bruce Aronow, Sorin Draghici and Daisuke Kihara University of Michigan (Steering Committee Chair), Ohio University (Steering Committee Chair), Childrens Hospital Medical Center, University of Cincinnati (Conference Chair), Wayne S...

9:40-10:40 R3.1: PMECT Ia: Performance Analysis in Heterogonous Wireless Networks Chair: Iain Phillips (Loughborough University, United Kingdom) R3.2: SN Ia: Applications Chair: Jose Esteban García Ruiz (Telefonica I+D, Spain) R3.3: IPMC I: Multimedia Networking & Streaming Chair: Fernando Silva (Instituto Superior Tecnico, Lisbon, Portugal, Portugal) R3.4: IMAP I: Video Processing & Communicat...