Stable crystal structures of wurtzite and recently discovered rhombohedral polymorphs boron phosphide were obtained based on chemistry rationale unconstrained geometry optimization calculations within density functional theory.

Subsea processing of oil/gas is performed by production system facilities, which are linked into a complete subsea connectors. High reliability and long service life the connectors, defined strict requirement deepwater oil fields, raise challenge design structure components to ASME-VIII code has been applied. The theoretical problems main parameters connector's hub detailed in this paper compar...

Recent studies postulate that the presence of polycyclic aromatic hydrocarbons (PAHs) in interstellar medium (ISM) could have been formed through resonance-stabilized arylcarbene intermediates. However, identifying most these reactive intermediates is very challenging experimentally due to their metastability and other experimental constrains. Thus, computational cover thermodynamic versus kine...