scholarly journals Photoelectron Spectroscopy and Electronic Structure Calculations of d1Vanadocene Compounds with Chelated Dithiolate Ligands:  Implications for Pyranopterin Mo/W Enzymes

2007 ◽  
Vol 46 (25) ◽  
pp. 10639-10646 ◽  
Author(s):  
Matthew A. Cranswick ◽  
Alice Dawson ◽  
J. Jon A. Cooney ◽  
Nadine E. Gruhn ◽  
Dennis L. Lichtenberger ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Electronic Structure Calculations ◽  
Structure Calculations

Revealing chemical ordering in Pt–Co nanoparticles using electronic structure calculations and X-ray photoelectron spectroscopy

2015 ◽  
Vol 17 (42) ◽  
pp. 28298-28310 ◽  
Author(s):  
Gábor Kovács ◽  
Sergey M. Kozlov ◽  
Iva Matolínová ◽  
Mykhailo Vorokhta ◽  
Vladimír Matolín ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Shell Structure ◽  
Density Functional ◽  
Electronic Structure Calculations ◽  
Optimization Method ◽  
X Ray ◽  
Chemical Ordering ◽  
Co Nanoparticles ◽  
Structure Calculations

PtYCo1−Y-core@Co-rich-subsurface@Pt-shell structure is identified in several nm large Pt–Co particles using X-ray photoelectron spectroscopy and an optimization method based on density-functional calculations.

scholarly journals Negative ion photoelectron spectroscopy of P2N3−: electron affinity and electronic structures of P2N3˙

2016 ◽  
Vol 7 (7) ◽  
pp. 4667-4675 ◽  
Author(s):  
Gao-Lei Hou ◽  
Bo Chen ◽  
Wesley J. Transue ◽  
David A. Hrovat ◽  
Christopher C. Cummins ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Electron Affinity ◽  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Electronic Structure Calculations ◽  
Negative Ion ◽  
Aromatic Molecule ◽  
High Level ◽  
Structure Calculations

The newly synthesized P2N3−, a planar all-inorganic aromatic molecule is investigated by negative ion photoelectron spectroscopy and high-level ab initio electronic structure calculations.

Electronic structures of methylated azaferrocenes and their borane adducts: Photoelectron spectroscopy and electronic structure calculations

2012 ◽  
Vol 41 (13) ◽  
pp. 3675 ◽  
Author(s):  
Tim J. Brunker ◽  
Branka Kovač ◽  
Konrad Kowalski ◽  
Walther Polit ◽  
Rainer F. Winter ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Electronic Structure Calculations ◽  
Structure Calculations
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