scholarly journals Structure Determination of Au on Pt(111) Surface: LEED, STM and DFT Study

Materials ◽  
2015 ◽  
Vol 8 (6) ◽  
pp. 2935-2952 ◽  
Author(s):  
Katarzyna Krupski ◽  
Marco Moors ◽  
Paweł Jóźwik ◽  
Tomasz Kobiela ◽  
Aleksander Krupski
Keyword(s):  
Structure Determination ◽  
Dft Study

Structure determination of bound nitrogen-based adducts with copper(ii) acetylacetonato; an EPR, ENDOR and DFT study

2015 ◽  
Vol 17 (17) ◽  
pp. 11445-11454 ◽  
Author(s):  
Emma Carter ◽  
Katherine M. Sharples ◽  
James A. Platts ◽  
Damien M. Murphy
Keyword(s):  
Structure Determination ◽  
Dft Study ◽  
Endor Spectroscopy ◽  
Methyl Pyridine

1H ENDOR spectroscopy and DFT have been used to characterize the coordination and geometry of bound pyridine and substituted pyridine substrates in the [Cu(acac)2](pyridine) and [Cu(acac)2](2-amino-6-methyl-pyridine) adducts.

Ab initio structure determination of cytochrome c6 by combined reciprocal space-real space approach

2003 ◽  
Vol 218 (1) ◽  
Author(s):  
K. Chowdhury ◽  
S. Ghosh ◽  
M. Mukherjee
Keyword(s):  
Cytochrome C ◽  
Ab Initio ◽  
Structure Determination ◽  
Direct Method ◽  
Real Space ◽  
Reciprocal Space ◽  
Cytochrome C6 ◽  
Ab Initio Structure ◽  
Space Approach

AbstractThe direct method program SAYTAN has been applied successfully to redetermine the structure of cytochrome c

STRUCTURE DETERMINATION OF 5 MEMBERED SILANE RINGS USING MICROWAVE SPECTROSCOPY

2018 ◽  
Author(s):  
Frank Marshall ◽  
G. Grubbs II ◽  
Gamil Guirgis ◽  
Theodore Carrigan-Broda ◽  
Grier Jones ◽  
...  
Keyword(s):  
Structure Determination ◽  
Microwave Spectroscopy

Isolation and Structure Determination of Antiproliferative Secondary Metabolites from the Potato Earthball Mushroom, Scleroderma bovista (Agaricomycetes)

2018 ◽  
Vol 20 (5) ◽  
pp. 411-418 ◽  
Author(s):  
Bernadett Kovacs ◽  
Zoltán Béni ◽  
Miklós Dékány ◽  
Noémi Bózsity ◽  
Istvan Zupko ◽  
...  
Keyword(s):  
Secondary Metabolites ◽  
Structure Determination
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