The determination of some two-electron integrals, ? ??, concerned with the semiempirical calculation of the electronic structure of molecules

1968 ◽  
Vol 9 (4) ◽  
pp. 629-631
Author(s):  
�. M. Moncharzh ◽  
A. I. Finkel'shtein
Keyword(s):  
Electronic Structure ◽  
Semiempirical Calculation ◽  
Structure Of Molecules

scholarly journals Synthesis and electronic structure determination of uranium(vi) ligand radical complexes

2016 ◽  
Vol 45 (31) ◽  
pp. 12576-12586 ◽  
Author(s):  
Khrystyna Herasymchuk ◽  
Linus Chiang ◽  
Cassandra E. Hayes ◽  
Matthew L. Brown ◽  
Jeffrey S. Ovens ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Structure Determination ◽  
Salen Ligands ◽  
The One

Pentagonal bipyramidal uranyl (UO22+) complexes of salen ligands were prepared and the electronic structure of the one-electron oxidized species[1a–c]+were investigated in solution.

scholarly journals Determination of Conduction and Valence Band Electronic Structure of LaTiO x N y Thin Film

ChemSusChem ◽  
2017 ◽  
Vol 10 (9) ◽  
pp. 2099-2106 ◽  
Author(s):  
Markus Pichler ◽  
Jakub Szlachetko ◽  
Ivano E. Castelli ◽  
Nicola Marzari ◽  
Max Döbeli ◽  
...  
Keyword(s):  
Thin Film ◽  
Electronic Structure ◽  
Valence Band

scholarly journals Determination of the valence band edge of Fe oxide nanoparticles dispersed in aqueous solution through resonant photoelectron spectroscopy from a liquid microjet

2021 ◽  
Author(s):  
Giorgia Olivieri ◽  
Gregor Kladnik ◽  
Dean Cvetko ◽  
Matthew A. Brown
Keyword(s):  
Aqueous Solution ◽  
Electronic Structure ◽  
Valence Band ◽  
Photoelectron Spectroscopy ◽  
Band Edge ◽  
Photoemission Spectroscopy ◽  
Oxide Nanoparticles ◽  
Valence Band Edge ◽  
Resonant Photoemission

The electronic structure of hydrated nanoparticles can be unveiled by coupling a liquid microjet with a resonant photoemission spectroscopy.

Spectroscopic studies on plastocyanin single crystals: a detailed electronic structure determination of the blue copper active site

1981 ◽  
Vol 103 (15) ◽  
pp. 4382-4388 ◽  
Author(s):  
K. W. Penfield ◽  
R. R. Gay ◽  
R. S. Himmelwright ◽  
N. C. Eickman ◽  
V. A. Norris ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Single Crystals ◽  
Structure Determination ◽  
Active Site ◽  
Spectroscopic Studies ◽  
Blue Copper
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