نتایج جستجو برای: polylautie acid gibbs freeenergy dipole moment

تعداد نتایج: 834923  

1992
D. Chang Xiao-Gang He W.-Y. Keung

D. Chang, Xiao-Gang He, W.-Y. Keung, B.H.J McKellar , and D. Wyler 1 Department of Physics and Astronomy Northwestern University, Evanston, IL 60208, USA 2 Research Center for High Energy Physics, School of Physics University of Melbourne, Parkville, Vic. 3052 Australia 3 Physics Department, University of Illinois at Chicago, IL 60680, USA 4 Institute for Nuclear Theory, University of Washingto...

Journal: :The Journal of chemical physics 2008
Lorenzo Lodi Roman N Tolchenov Jonathan Tennyson A E Lynas-Gray Sergei V Shirin Nikolai F Zobov Oleg L Polyansky Attila G Császár Joost N P van Stralen Lucas Visscher

A valence-only (V) dipole moment surface (DMS) has been computed for water at the internally contracted multireference configuration interaction level using the extended atom-centered correlation-consistent Gaussian basis set aug-cc-pV6Z. Small corrections to these dipole values, resulting from core correlation (C) and relativistic (R) effects, have also been computed and added to the V surface...

2008
M. A. Buldakov E. V. Koryukina V. N. Cherepanov N. Kalugina

A theoretical approach to calculating the dipole moment function of a diatomic molecule at very small internuclear separations has been suggested. The approach is based on the united-atom model and the LS-coupling approximation. Regularities in the behavior of the dipole moments as functions of the internuclear separation, electronic state, and nuclear charge of the molecule have been found. Wi...

Journal: :Physical review letters 2000
Brhlik Everett Kane King Lebedev

Recently it has been demonstrated that large phases in softly broken supersymmetric (SUSY) theories are consistent with electric dipole moment constraints, and are motivated in some (type I) string models. Here we consider whether large flavor-independent soft phases may be the dominant (or only) source of all CP violation. In this framework, epsilon and epsilon(')/epsilon can be accommodated, ...

2014
Pengchong Xue Boqi Yao Yuan Zhang Peng Chen Kechang Li Baijun Liu Ran Lu

Please note that technical editing may introduce minor changes to the text and/or graphics, which may alter content. The journal’s standard Terms & Conditions and the Ethical guidelines still apply. In no event shall the Royal Society of Chemistry be held responsible for any errors or omissions in this Accepted Manuscript or any consequences arising from the use of any information it contains. ...

Journal: :Journal of chemical theory and computation 2011
Lalitha Ravichandran Nayana Vaval Sourav Pal

In this paper, we present the new implementation of partial triples for the dipole moment of doublet radicals in Lagrangian formulation of Fock-space multireference coupled cluster (Λ-FSMRCC) response method. We have implemented a specific scheme of noniterative triples, in addition to singles and doubles schemes, which accounts for the effects appearing at least at the third order in dipole mo...

2004
B. Lee Roberts

From the famous experiments of Stern and Gerlach to the present, measurements of magnetic dipole moments, and searches for electric dipole moments of “elementary” particles have played a major role in our understanding of sub-atomic physics. In this talk I discuss the progress on measurements and theory of the magnetic dipole moment of the muon. I also discuss a new proposal to search for a per...

2003
L. Dong G. Q. Gu K. W. Yu

We have studied the effective response of composites of spherical particles each having a dielectric profile which varies along the radius of the particles. We developed a first-principles approach to compute the dipole moment of the individual spherical particle and hence the effective dielectric response of a dilute suspension. The approach has been applied to two model dielectric profiles, f...

Journal: :The Journal of chemical physics 2009
Mirjana Mladenović Marius Lewerenz Michael C McCarthy Patrick Thaddeus

Isofulminic acid, HONC, the most energetic stable isomer of isocyanic acid HNCO, higher in energy by 84 kcal/mol, has been detected spectroscopically by rotational spectroscopy supported by coupled cluster electronic structure calculations. The fundamental rotational transitions of the normal, carbon-13, oxygen-18, and deuterium isotopic species have been detected in the centimeter band in a mo...

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