On the theoretical determination of the electron affinity of ozone

1993 ◽  
Vol 86 (6) ◽  
pp. 467-476 ◽  
Author(s):  
Remedios Gonz�lez-Luque ◽  
Manuela Merch�n ◽  
Piotr Borowski ◽  
Bj�rn O. Roos
Keyword(s):  
Electron Affinity ◽  
Theoretical Determination

ChemInform Abstract: A THEORETICAL DETERMINATION OF THE ELECTRON AFFINITY OF METHYLENE

1983 ◽  
Vol 14 (10) ◽  
Author(s):  
D. FELLER ◽  
L. E. MCMURCHIE ◽  
W. T. BORDEN ◽  
E. R. DAVIDSON
Keyword(s):  
Electron Affinity ◽  
Theoretical Determination

A theoretical determination of the electron affinity of methylene

1982 ◽  
Vol 77 (12) ◽  
pp. 6134-6143 ◽  
Author(s):  
David Feller ◽  
Larry E. McMurchie ◽  
Weston Thatcher Borden ◽  
Ernest R. Davidson
Keyword(s):  
Electron Affinity ◽  
Theoretical Determination

Theoretical progress in the H2+ molecular ion: towards electron to proton mass ratio determinationThis paper was presented at the International Conference on Precision Physics of Simple Atomic Systems, held at École de Physique, les Houches, France, 30 May – 4 June, 2010.

2011 ◽  
Vol 89 (1) ◽  
pp. 103-107 ◽  
Author(s):  
J.-Ph. Karr ◽  
L. Hilico ◽  
V. I. Korobov
Keyword(s):  
High Resolution ◽  
Mass Ratio ◽  
Theoretical Determination ◽  
Atomic Systems ◽  
The Road ◽  
Theoretical Progress ◽  
Proton Mass ◽  
Accuracy Level ◽  
Ratio Determination

High resolution ro-vibrational spectroscopy of H 2+ or HD+ can lead to a significantly improved determination of the electron to proton mass ratio me/mp if the theoretical determination of transition frequencies becomes sufficiently accurate. We report on recent theoretical progress in the description of the hyperfine structure of H 2+ , as well as first steps in the evaluation of radiative corrections at order mα7. Completion of the latter calculation should allow us to reach the projected 10−10 accuracy level and open the road to mass ratio determination.

Combined Experimentaland Theoretical Determination of the Atomic Structure of the (310) Twin in NB

1991 ◽  
Vol 238 ◽  
Author(s):  
Geoffrey H. Campbells ◽  
Wayne E. King ◽  
Stephen M. Foiles ◽  
Peter Gumbsch ◽  
Manfred Rühle
Keyword(s):  
High Resolution ◽  
Theoretical Models ◽  
High Resolution Electron Microscopy ◽  
Interatomic Potentials ◽  
Image Simulation ◽  
Theoretical Determination ◽  
Atomic Structures ◽  
Resolution Electron ◽  
High Resolution Images

ABSTRACTA (310) twin boundary in Nb has been fabricated by diffusion bonding oriented single crystals and characterized using high resolution electron microscopy. Atomic structures for the boundary have been predicted using different interatomic potentials. Comparison of the theoretical models to the high resolution images has been performed through image simulation. On the basis of this comparison, one of the low energy structures predicted by theory can be ruled out.

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