On the double structure of the crystal-melt transition layer: Density functional analysis of a (111) fcc crystal-melt interface

1989 ◽  
Vol 223 (1-2) ◽  
pp. A586
Author(s):  
L. Mikheev ◽  
A. Trayanov
Keyword(s):  
Functional Analysis ◽  
Transition Layer ◽  
Density Functional ◽  
Double Structure ◽  
Layer Density

Density Functional Analysis of Ancillary Ligand Electronic Contributions to Metal-Mediated Enediyne Cyclization

2009 ◽  
Vol 48 (9) ◽  
pp. 3926-3933 ◽  
Author(s):  
Aurora E. Clark ◽  
Sibaprasad Bhattacharryya ◽  
Jeffrey M. Zaleski
Keyword(s):  
Functional Analysis ◽  
Density Functional ◽  
Ancillary Ligand

scholarly journals Density Functional Analysis of Fluorite-Structured (Ce, Zr)O2/CeO2 Interfaces

2017 ◽  
Vol 121 (27) ◽  
pp. 14678-14687 ◽  
Author(s):  
Philippe F. Weck ◽  
Pierre-Alexandre Juan ◽  
Rémi Dingreville ◽  
Eunja Kim
Keyword(s):  
Functional Analysis ◽  
Density Functional

scholarly journals A Density Functional Analysis on the Photoelectronic Spectra of Fe-Only Hydrogenase Analogues

2007 ◽  
Vol 5 ◽  
pp. 148-151
Author(s):  
Eben Sy Dy ◽  
Hideaki Kasai ◽  
Carl Redshaw ◽  
Christopher J Pickett
Keyword(s):  
Functional Analysis ◽  
Density Functional
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