Mixing of electronic states in molybdenum complexes involved in nitrogen activation

2006 ◽  
Vol 324 (1) ◽  
pp. 202-209 ◽  
Author(s):  
Robert Stranger ◽  
Brian F. Yates
Keyword(s):  
Electronic States ◽  
Molybdenum Complexes ◽  
Nitrogen Activation

The influence of peripheral ligand bulk on nitrogen activation by three-coordinate molybdenum complexes-A theoretical study using the ONIOM method

2009 ◽  
Vol 30 (13) ◽  
pp. 2146-2156 ◽  
Author(s):  
Nigel J. Brookes ◽  
David C. Graham ◽  
Gemma Christian ◽  
Robert Stranger ◽  
Brian F. Yates
Keyword(s):  
Theoretical Study ◽  
Molybdenum Complexes ◽  
Nitrogen Activation ◽  
Oniom Method

Nitrogen Activation via Three-Coordinate Molybdenum Complexes: Comparison of Density Functional Theory Performance with Wave Function Based Methods

2005 ◽  
Vol 109 (30) ◽  
pp. 6762-6772 ◽  
Author(s):  
David C. Graham ◽  
Gregory J. O. Beran ◽  
Martin Head-Gordon ◽  
Gemma Christian ◽  
Robert Stranger ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Wave Function ◽  
Density Functional ◽  
Functional Theory ◽  
Molybdenum Complexes ◽  
Nitrogen Activation

Integration of Core-Edge Spectroscopy Methods for the Study of Polymers

1996 ◽  
Vol 54 ◽  
pp. 154-155
Author(s):  
E. G. Rightor
Keyword(s):  
Excited State ◽  
Polymer Blends ◽  
Gas Phase ◽  
Spatial Resolution ◽  
High Spatial Resolution ◽  
Electronic States ◽  
Core Electron ◽  
Bulk Solids ◽  
Development Application

Core edge spectroscopy methods are versatile tools for investigating a wide variety of materials. They can be used to probe the electronic states of materials in bulk solids, on surfaces, or in the gas phase. This family of methods involves promoting an inner shell (core) electron to an excited state and recording either the primary excitation or secondary decay of the excited state. The techniques are complimentary and have different strengths and limitations for studying challenging aspects of materials. The need to identify components in polymers or polymer blends at high spatial resolution has driven development, application, and integration of results from several of these methods.

Electronic States near the Fermi Level in the Antiferromagnetic and Ferromagnetic Spinels of Zn 1− x Cu x Cr 2 Se 4 ; 0.0 ≤ x ≤ 1.0

2002 ◽  
Vol 75 (4-5) ◽  
pp. 359-371
Author(s):  
M. Hidaka ◽  
N. Tokiwa ◽  
M. Yoshimura ◽  
H. Fujii ◽  
Jae-Young Choi ◽  
...  
Keyword(s):  
Fermi Level ◽  
Electronic States

Electronic states of the Cs+ ion

1997 ◽  
Vol 94 ◽  
pp. 1794-1801 ◽  
Author(s):  
C Destandau ◽  
G Chambaud ◽  
P Rosmus
Keyword(s):  
Electronic States
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