All valence-electrons calculations on purines and pyrimidines

1968 ◽  
Vol 10 (3) ◽  
pp. 231-239 ◽  
Author(s):  
A. Pullman ◽  
E. Kochanski ◽  
M. Gilbert ◽  
A. Denis
1968 ◽  
Vol 9 (4) ◽  
pp. 279-287 ◽  
Author(s):  
C. Giessner-Prettre ◽  
A. Pullman

Author(s):  
P. E. Batson ◽  
C. H. Chen ◽  
J. Silcox

We wish to report in this paper measurements of the inelastic scattering component due to the collective excitations (plasmons) and single particlehole excitations of the valence electrons in Al. Such scattering contributes to the diffuse electronic scattering seen in electron diffraction patterns and has recently been considered of significance in weak-beam images (see Gai and Howie) . A major problem in the determination of such scattering is the proper correction for multiple scattering. We outline here a procedure which we believe suitably deals with such problems and report the observed single scattering spectrum.In principle, one can use the procedure of Misell and Jones—suitably generalized to three dimensions (qx, qy and #x2206;E)--to derive single scattering profiles. However, such a computation becomes prohibitively large if applied in a brute force fashion since the quasi-elastic scattering (and associated multiple electronic scattering) extends to much larger angles than the multiple electronic scattering on its own.


Author(s):  
Chen Liqing ◽  
Liu Zuqin ◽  
Zhang Wei

Valence state analyses of Fe and Mn in oxides by EPMA have been reported in literature. In this paper, the effects of valence state on intensity ratios ILα/IKα and ILα/ILβ of Cu, Ni, Co, Fe, Mn, Cr and their oxides, and on intensity ratios ILβ2/ILα1 and ILγ1/ILα1 of Mo, Nb, Zr and their oxides were studied. It was observed that intensity ratios change with valence states in accordance with some regularities, and these effects could be utilized for analyzing the valence states of catalysts.Valence state analysis of elements by EPMA is based on the fact that changes in the states of valence electrons in the outer shells of an atom cause corresponding changes in line intensities. The M electrons of Cu, Ni, Co, Fe, Mn, Cr and the N electrons of Mo, Nb, Zr are valence electrons. Line Kα1,2 and six lines of L are produced from the transitions of K-L2,3 and L-M or L-N respectively.


2018 ◽  
Author(s):  
Wentao Qin ◽  
Scott Donaldson ◽  
Dan Rogers ◽  
Lahcen Boukhanfra ◽  
Julien Thiefain ◽  
...  

Abstract Many semiconductor products are manufactured with mature technologies involving the uses of aluminum (Al) lines and tungsten (W) vias. High resistances of the vias were sometimes observed only after electrical or thermal stress. A layer of Ti oxide was found on such a via. In the wafer processing, the post W chemical mechanical planarization (WCMP) cleaning left residual W oxide on the W plugs. Ti from the overlaying metal line spontaneously reduced the W oxide, through which Ti oxide formed. Compared with W oxide, the Ti oxide has a larger formation enthalpy, and the valence electrons of Ti are more tightly bound to the O ion cores. As a result, the Ti oxide is more resistive than the W oxide. Consequently, the die functioned well in the first test in the fab, but the via resistance increased significantly after a thermal stress, which led to device failure in the second test. The NH4OH concentration was therefore increased to more effectively remove residual W oxide, which solved the problem. The thermal stress had prevented the latent issue from becoming a more costly field failure.


Author(s):  
Debanjan Kundu ◽  
Vikash Kumar Dubey

Abstract:: Various neurodegenerative disorders have molecular origin but some common molecular mechanisms. In the current scenario, there are very few treatment regimens present for advanced neurodegenerative diseases. In this context, there is an urgent need for alternate options in the form of natural compounds with an ameliorating effect on patients. There have been individual scattered experiments trying to identify potential values of various intracellular metabolites. Purines and Pyrimidines, which are vital molecules governing various aspects of cellular biochemical reactions, have been long sought as crucial candidates for the same, but there are still many questions that go unanswered. Some critical functions of these molecules associated with neuromodulation activities have been identified. They are also known to play a role in foetal neurodevelopment, but there is a lacuna in understanding their mechanisms. In this review, we have tried to assemble and identify the importance of purines and pyrimidines, connecting them with the prevalence of neurodegenerative diseases. The leading cause of this class of diseases is protein misfolding and the formation of amyloids. A direct correlation between loss of balance in cellular homeostasis and amyloidosis is yet an unexplored area. This review aims at bringing the current literature available under one umbrella serving as a foundation for further extensive research in this field of drug development in neurodegenerative diseases.


Author(s):  
John H. D. Eland ◽  
Raimund Feifel

Double ionisation of the triatomic molecules presented in this chapter shows an added degree of complexity. Besides potentially having many more electrons, they have three vibrational degrees of freedom (three normal modes) instead of the single one in a diatomic molecule. For asymmetric and bent triatomic molecules multiple modes can be excited, so the spectral bands may be congested in all forms of electronic spectra, including double ionisation. Double photoionisation spectra of H2O, H2S, HCN, CO2, N2O, OCS, CS2, BrCN, ICN, HgCl2, NO2, and SO2 are presented with analysis to identify the electronic states of the doubly charged ions. The order of the molecules in this chapter is set first by the number of valence electrons, then by the molecular weight.


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