Computers in chemical and biochemical research. Volume 2 (Klopfenstein, C. E.; Wilkins, C.; eds.)

UBE 2 C ( ubiquitin - conjugating enzyme E 2 C )

C++ and Massively Parallel Computers

Our goal is to apply the software engineering advantages of object-oriented programming to the raw power of massively parallel architectures. To do this we have constructed a hierarchy of C++ classes to support the data-parallel paradigm. Feasibility studies and initial coding can be supported by any serial machine that has a C++ compiler. Parallel execution requires an extended Cfront, which u...

On 2 - e . c . line - critical graphs ∗

We continue the study of graphs defined by a certain adjacency property by investigating the n-existentially closed line-critical graphs. We classify the 1-e.c. line-critical graphs and give examples of 2-e.c. line-critical graphs for all orders ≥ 9.

92-101 C E 860-E C E 640.indd

C E 860 Advanced Fluid Mechanics 3(3,0) Laminar and turbulent flows; boundary layer and free shear flows (jets, wakes, etc.); descriptions of velocity, shear stress and pressure measurements, and aerodynamic drag. C E 861 Mechanics of Sediment Transport 3(3,0) Characterization of sediments; physical principles governing fluvial, estuarial, and coastal transport of cohesionless and cohesive sedi...

H2 Elimination and C-C Bond Cleavage of Propene: A Theoretical Research

Propene dissociation channels were characterized by ab initio CCSD(T)/6-311++g(d,p) calculations. Inthis work the detailed mechanism of propene dissociation to C2H4+CH2, C2H2+H+CH3, C2H2+CH4 andC3H3+H2+H have been investigated. According to our calculations, ten fragments can be classified intofive dissociated channels. Our results point out that two mechanisms come into play in the H2 eliminat...