Fractional volume integration in two-dimensional NMR spectra: CAKE, a Monte Carlo approach

2008 ◽  
Vol 192 (2) ◽  
pp. 294-301 ◽  
Author(s):  
Rocco Romano ◽  
Debora Paris ◽  
Fausto Acernese ◽  
Fabrizio Barone ◽  
Andrea Motta
2009 ◽  
Author(s):  
Rocco Romano ◽  
Fausto Acernese ◽  
Debora Paris ◽  
Andrea Motta ◽  
Fabrizio Barone

2010 ◽  
Vol 405 (24) ◽  
pp. 4925-4930
Author(s):  
Baozeng Guo ◽  
Hui Guo ◽  
Suoliang Zhang ◽  
Dengyuan Song

2004 ◽  
Vol 35 (2) ◽  
pp. 117-123 ◽  
Author(s):  
Baozeng Guo ◽  
Umberto Ravaioli ◽  
Dengyuan Song

Author(s):  
Makoto Shiojiri ◽  
Toshiyuki Isshiki ◽  
Tetsuya Fudaba ◽  
Yoshihiro Hirota

In hexagonal Se crystal each atom is covalently bound to two others to form an endless spiral chain, and in Sb crystal each atom to three others to form an extended puckered sheet. Such chains and sheets may be regarded as one- and two- dimensional molecules, respectively. In this paper we investigate the structures in amorphous state of these elements and the crystallization.HRTEM and ED images of vacuum-deposited amorphous Se and Sb films were taken with a JEM-200CX electron microscope (Cs=1.2 mm). The structure models of amorphous films were constructed on a computer by Monte Carlo method. Generated atoms were subsequently deposited on a space of 2 nm×2 nm as they fulfiled the binding condition, to form a film 5 nm thick (Fig. 1a-1c). An improvement on a previous computer program has been made as to realize the actual film formation. Radial distribution fuction (RDF) curves, ED intensities and HRTEM images for the constructed structure models were calculated, and compared with the observed ones.


2009 ◽  
Vol 8 (3-4) ◽  
pp. 324-335 ◽  
Author(s):  
Damien Querlioz ◽  
Huu-Nha Nguyen ◽  
Jérôme Saint-Martin ◽  
Arnaud Bournel ◽  
Sylvie Galdin-Retailleau ◽  
...  

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