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1.
R. Euler B. Fricke T. Morović W. -D. Sepp A. Rosén 《Zeitschrift für Physik A Hadrons and Nuclei》1980,297(2):101-104
Total energy SCF calculations were performed for noble gas difluorides in a relativistic procedure and compared with analogous non-relativistic calculations. The discrete variational method with numerical basis functions was used. Rather smooth potential energy curves could be obtained. The theoretical Kr-F and Xe-F bond distances were calculated to be 3.5 a.u. and 3.6 a.u. which should be compared with the experimental values of 3.54 a.u. and 3.7 a.u. Although the dissociation energies are off by a factor of about five it was found that ArF2 may be a stable molecule. Theoretical ionization energies for the outer levels reproduce the experimental values for KrF2 and XeF2 to within 2 eV. 相似文献
2.
Márton Balázs Firas Rassoul-Agha Timo Seppäläinen 《Communications in Mathematical Physics》2006,266(2):499-545
We study space-time fluctuations around a characteristic line for a one-dimensional interacting system known as the random average process. The state of this system is a real-valued function on the integers. New values of the function are created by averaging previous values with random weights. The fluctuations analyzed occur on the scale n 1/4, where n is the ratio of macroscopic and microscopic scales in the system. The limits of the fluctuations are described by a family of Gaussian processes. In cases of known product-form invariant distributions, this limit is a two-parameter process whose time marginals are fractional Brownian motions with Hurst parameter 1/4. Along the way we study the limits of quenched mean processes for a random walk in a space-time random environment. These limits also happen at scale n 1/4 and are described by certain Gaussian processes that we identify. In particular, when we look at a backward quenched mean process, the limit process is the solution of a stochastic heat equation. 相似文献
3.
Summary We study that subset of the moduli space
of stable genusg,g>1, Riemann surfaces which consists of such stable Riemann surfaces on which a given finite groupF acts. We show first that this subset is compact. It turns out that, for general finite groupsF, the above subset is not connected. We show, however, that for ℤ2 actions this subsetis connected. Finally, we show that even in the moduli space ofsmooth genusg Riemann surfaces, the subset of those Riemann surfaces on which ℤ2 actsis connected. In view of deliberations of Klein ([8]), this was somewhat surprising.
These results are based on new coordinates for moduli spaces. These coordinates are obtained by certainregular triangulations of Riemann surfaces. These triangulations play an important role also elsewhere, for instance in approximating
eigenfunctions of the Laplace operator numerically.
This work has been supported by the European Communities Science Plan Project No SCI*-CT91 (TSTS) “Computational Methods in the Theory of Riemann Surfaces and Algebraic Curves,” by Academy of Finland and by
the Swiss National Science Foundation Grant 20-34099.92. We thank M. C. Petrus for providing excellent motivation for this
work.
This article was processed by the author using the LATEX style filecljourl from Springer-Verlag. 相似文献
4.
The Chemistry of Metal Carbonyls and Cyano Complexes in Liquid Ammonia. XXXII. On the Reaction of η5-C5H5Mo(CO)3CH3 and η5-C5H5Fe(CO)2CH3 with Liquid Ammonia η5-C5H5Mo(CO)3CH3 reacts with liquid NH3 to give η5-C5H5Mo(CO)2(NH3)H and acetamide: In contrast, η5-C5H5Fe(CO)2CH3 undergoes a carbonyl insertion to give the acetyl complex η5-C5H5Fe(CO)(NH3)COCH3: The NH3 ligand in η5-C5H5Fe(CO)(NH3)COCH3 can be substituted by pyridine. 相似文献
5.
T. Bastug W. D. Sepp B. Fricke D. Heinemann D. Kolb 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1992,22(3):641-644
The electronic states of small Al n (n=2–8) clusters have been calculated with a relativistic ab-initio MO-LCAO Dirac-Fock-Slater method using numerical atomic DFS wave-functions. The excitation energies were obtained from a ground state calculation of neutral clusters, and in addition from negative clusters charged by half an electron in order to account for part of the relaxation. These energies are compared with experimental photo-electron spectra. 相似文献
6.
The anomeric equilibrium of 2-methoxy-trans-5,6-dimethyltetrahydropyran was found to have an enhanced fraction of axial methoxyl compared to 2-methoxy-4- or 6-methyltetrahydropyran. The 2-methoxy-cis-5,6-dimethyltetrahydropyran did not. The enhanced anomeric effect is attributed to a steric repulsion between the trans vicinal Me groups. A similar effect is postulated for methyl glucoside and glucose pentaacetate. 相似文献
7.
Mikael Mohtaschemi Anni Sorvari Antti Puisto Markus Nuopponen Jukka Seppälä Mikko J. Alava 《Cellulose (London, England)》2014,21(6):3913-3925
We conduct rheological characterization of nanofibrillated cellulose (NFC) suspensions, a highly non-Newtonian complex fluid, at several concentrations. Special care is taken to cope with the prevalent problems of time scale issues, wall depletion and confinement effects. We do this by combining the wide-gap vane geometry, extremely long measurement times, and modeling. We take into account the wide-gap related stress heterogeneity by extending upon mainstream methods and apply a gap correction. Furthermore, we rationalize the experimental data through a simple viscous structural model. With these tools we find that, owing to the small size of the particles subjected to Brownian motion, the NFC suspensions exhibit a critical shear rate, where the flow curve experiences a turning point. This makes the steady state of these suspensions at low shear rates non-unique. To optimize various mixing and pumping applications, such history dependent tendency of NFC suspensions to shear band needs to be taken into account. 相似文献
8.
Nikolaos Pahimanolis Arto Salminen Paavo A. Penttilä Juuso T. Korhonen Leena-Sisko Johansson Janne Ruokolainen Ritva Serimaa Jukka Seppälä 《Cellulose (London, England)》2013,20(3):1459-1468
In this paper, nanofibrillated cellulose/carboxymethyl cellulose (CMC) composite films were prepared using tape casting. The obtained transparent films showed shear induced partial alignment of fibrils along the casting direction, resulting in birefringence in cross polarized light. The carboxyl groups of CMC could be further utilized to create ionic crosslinking by treatment with glycidyl trimethyl ammonium chloride (GTMA). The GTMA treated composite films had improved mechanical properties both in wet and dry state. The chemical composition and morphologies of composites were analyzed with X-ray photoelectron spectroscopy, elemental analysis, scanning electron microscopy and wide-angle X-ray scattering. 相似文献
9.
10.