Hydrocarbon growth via ion-molecule reactions: computational studies of the isomers of C4H2+, C6H2+ and C6H4+ and their formation paths from acetylene and its fragments

2015 ◽  
Vol 17 (3) ◽  
pp. 1859-1869 ◽  
Author(s):  
Partha P. Bera ◽  
Roberto Peverati ◽  
Martin Head-Gordon ◽  
Timothy J. Lee
Keyword(s):  
Electronic Spectra ◽  
Computational Studies ◽  
Ion Molecule Reactions ◽  
Formation Paths

Structures, vibrational and electronic spectra, and AIMD trajectories of formation paths for C4H2+, C6H2+ and C6H4+ from acetylene ion and its fragments are reported in this article.

The electronic spectra of diphenyl-sulphide and DI-2-pyridyl-sulphide. A CNDO/S treatment

1976 ◽  
Vol 73 ◽  
pp. 523-526 ◽  
Author(s):  
Vinicio Galasso ◽  
Giuseppe C. Pappalardo ◽  
Giuseppe Scarlata
Keyword(s):  
Electronic Spectra

Computational Studies of Human Motion: Part 1, Tracking and Motion Synthesis

2005 ◽  
Author(s):  
David A. Forsyth ◽  
Okan Arikan ◽  
Leslie Ikemoto ◽  
James O'Brien ◽  
Deva Ramanan
Keyword(s):  
Human Motion ◽  
Computational Studies ◽  
Motion Synthesis

Experimental and Computational Studies of the Relative Flow Field in a Centrifugal Blood Pump

2000 ◽  
Vol 28 (1-2) ◽  
pp. 119-125 ◽  
Author(s):  
B. T. H. Ng ◽  
Weng Kong Chan ◽  
S. C. M. Yu ◽  
HaiDong Li
Keyword(s):  
Flow Field ◽  
Blood Pump ◽  
Computational Studies ◽  
Centrifugal Blood Pump ◽  
Relative Flow

Computational studies of hard-body and 3-D effects in plume flows

1989 ◽  
Author(s):  
ETHIRAJ VENKATAPATHY ◽  
WILLIAM FEIEREISEN ◽  
SHIGERU OBAYASHI
Keyword(s):  
Computational Studies ◽  
Plume Flows
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