نتایج جستجو برای: electron configuration

تعداد نتایج: 430632  

Journal: :Journal of computational chemistry 2008
Viktor Bezugly Pawel Wielgus Frank R. Wagner Miroslav Kohout Yuri Grin

Electron localizability indicators based on the same-spin electron pair density and the opposite-spin electron pair density are studied for correlated wavefunctions of the argon atom. Different basis sets and reference spaces are used for the multireference configuration interaction method following the complete active space calculations aiming at the understanding of the effect of local electr...

2006
J C Berengut S D Loch C P Ballance M S Pindzola

Electron-impact ionization cross sections for the 1s2s 1 S and 1s2s 3 S metastable states of Li + are calculated using both perturbative distorted-wave and non-perturbative close-coupling methods. Term-resolved distorted-wave calculations are found to be approximately 15% above term-resolved R-matrix with pseudostates calculations. On the other hand, configuration-average time-dependent close-c...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه رازی - دانشکده علوم 1390

in this thesis, a better reaction conditions for the synthesis of spirobarbiturates catalyzed by task-specific ionic liquid (2-hydroxy-n-(2-hydroxyethyl)-n,n-dimethylethanaminium formate), calcium hypochlorite ca(ocl)2 or n-bromosuccinimide (nbs) in the presence of water at room temperature by ultrasonic technique is provided. the design and synthesis of spirocycles is a challenging task becaus...

Journal: :Physica Scripta 2022

Abstract Density control is crucial for maintaining stable confined plasma. Divertor pumping, where neutral particles are compressed and exhausted in the divertor region, was developed this task Large Helical Device. In study, particle pressure, which related to recycling, systematically scanned magnetic configuration by changing axis position. High pressure compression were obtained a high pla...

Journal: :Acta Crystallographica Section A Foundations of Crystallography 2011

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