نتایج جستجو برای: relative stability energies

تعداد نتایج: 722265  

Alireza Zebarjadi Danial Kahrizi, Zeinab Chaghakaboodi

The present study was carried out to estimate genetic variability parameters for some traits such as pods per plant, cell membrane stability, one thousand kernel weight, flowering period, grain filling period, chlorophyll content, relative water content, leaf excised water content, seed per pod and pod length, in 16 winter rapeseed genotypes. Statistical analysis showed significant differences ...

2008
H. S. Ahn M. G. Bagliesi

We present new measurements of heavy cosmic-ray nuclei at high energies performed during the first flight of the balloon-borne cosmic-ray experiment CREAM (Cosmic-Ray Energetics And Mass). This instrument uses multiple charge detectors Preprint submitted to Elsevier 12 August 2008 and a transition radiation detector to provide the first high accuracy measurements of the relative abundances of e...

2016
R. W. Grimes B. P. Uberuaga H. Bracht

Copyright and Moral Rights for the articles on this site are retained by the individual authors and/or other copyright owners. For more information on Open Research Online's data policy on reuse of materials please consult the policies page. Electronic structure calculations are used to study the stability, concentration, and migration of vacancy-donor ͑phosphorus, arsenic, and antimony͒ complexe...

Journal: :Physical chemistry chemical physics : PCCP 2008
Rafał Podeszwa Krzysztof Szalewicz

Dimers of several polycyclic aromatic hydrocarbons (PAHs): naphthalene, anthracene and pyrene have been investigated by symmetry-adapted perturbation theory based on the density functional description of the monomers [SAPT(DFT)]. Calculations have been performed for a number of radial cross-sections of selected stacked and T-shaped configurations. The interaction energies at the minima of stack...

2008
A. Chroneos R. W. Grimes B. P. Uberuaga H. Bracht

Electronic structure calculations are used to study the stability, concentration, and migration of vacancydonor phosphorus, arsenic, and antimony complexes in germanium, in the presence of carbon. The association of carbon with mobile vacancy-donor pairs can lead to energetically favorable and relatively immobile complexes. It is predicted that the complexes formed between lattice vacancies, ca...

1999
P. Collet Y. Lacroix Y. LACROIX

A bstract. We introduce the notion of local perturbations for normalized energies and study their effect on the level of equilibrium measures. Using coupling technics and Kac’s return time theorem, we obtain some d̄-estimates for the equilibrium measures. These reveal stability of certain energies under local perturbations. They also show how some weak-⋆ convergence of equilibrium may be obtaine...

Journal: :Journal of the American Chemical Society 2004
Kevin Range Matthew J McGrath Xabier Lopez Darrin M York

Density functional calculations of a series of metaphosphates, acyclic and cyclic phosphates and phosphoranes relevant to RNA catalysis are presented. Solvent effects calculated with three well-established solvation models are analyzed and compared. The structure and stability of the compounds are characterized in terms of thermodynamic quantities for isomerization and ligand substitution react...

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