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Physical and chemical characterization of pt12-ncun clusters via ab initio calculations
(AMERICAN INSTITUTE OF PHYSICS, 2009)
Physical and chemical characterization of pt12-ncun clusters via ab initio calculations
(AMERICAN INSTITUTE OF PHYSICS, 2009)
Physical and chemical characterization of pt12-ncun clusters via ab initio calculations
(AMERICAN INSTITUTE OF PHYSICS, 2009)
Tight-binding model for carbon nanotubes from ab initio calculations
(IOP PUBLISHING LTD, 2010)
Conformational and electronic study of N-phenylalkyl-3,4-dichloromaleimides: Ab initio and DFT study
(John Wiley & Sons Inc, 2003-02-19)
A conformational and electronic study on N-phenylalkyl-3,4-dichloromaleimides, a new series of antifungal compounds, was carried out. In this study ab initio [RHF/3-21G and RHF/6-31G(d)] and density functional theory ...