A theoretical determination of the dissociation energy of the nitric oxide dimer

1994 ◽  
Vol 88 (6) ◽  
pp. 425-435 ◽  
Author(s):  
Remedios Gonz�lez-Luque ◽  
Manuela Merch�n ◽  
Bj�rn O. Roos
Keyword(s):  
Nitric Oxide ◽  
Dissociation Energy ◽  
Theoretical Determination ◽  
Nitric Oxide Dimer

ChemInform Abstract: A Theoretical Determination of the Dissociation Energy of the Nitric Oxide Dimer.

ChemInform ◽  
2010 ◽  
Vol 25 (49) ◽  
pp. no-no
Author(s):  
R. GONZALEZ-LUQUE ◽  
M. MERCHAN ◽  
B. O. ROOS
Keyword(s):  
Nitric Oxide ◽  
Dissociation Energy ◽  
Theoretical Determination ◽  
Nitric Oxide Dimer

scholarly journals Theoretical Determination of the Dissociation Energy of Molecular Hydrogen

2009 ◽  
Vol 5 (11) ◽  
pp. 3039-3048 ◽  
Author(s):  
Konrad Piszczatowski ◽  
Grzegorz Łach ◽  
Michal Przybytek ◽  
Jacek Komasa ◽  
Krzysztof Pachucki ◽  
...  
Keyword(s):  
Dissociation Energy ◽  
Molecular Hydrogen ◽  
Theoretical Determination

Theoretical Determination of Band Absorption With Specific Application to Carbon Monoxide and Nitric Oxide

1976 ◽  
Vol 98 (3) ◽  
pp. 432-437 ◽  
Author(s):  
A. Hashemi ◽  
T. C. Hsieh ◽  
R. Greif
Keyword(s):  
Nitric Oxide ◽  
Experimental Data ◽  
Carbon Monoxide ◽  
Infrared Absorption ◽  
Theoretical Determination ◽  
Variable Line ◽  
Line Spacing ◽  
Band Absorption ◽  
Good Agreement

Results are derived for infrared absorption in a fundamental manner directly from the basic spectroscopic variables. Comparison with the experimental data for carbon monoxide and nitric oxide shows very good agreement. Further work is suggested which includes the effect of variable line spacing.

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.

Computational determination of equilibrium geometry and dissociation energy of the water dimer

2000 ◽  
Vol 2 (10) ◽  
pp. 2227-2234 ◽  
Author(s):  
W. Klopper ◽  
J. G. C. M. van Duijneveldt-van de Rijdt ◽  
F. B. van Duijneveldt
Keyword(s):  
Dissociation Energy ◽  
Water Dimer ◽  
Equilibrium Geometry
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