نتایج جستجو برای: π character

تعداد نتایج: 102856  

Journal: :Theor. Comput. Sci. 2005
Ugo Montanari Marco Pistore

This report has been submitted forr publication outside of ITC and will probably be copyrighted if accepted for publication. It has been issued as a Technical Report forr early dissemination of its contents. In view of the transfert of copy right too the outside publisher, its distribution outside of ITC priorr to publication should be limited to peer communications and specificc requests. Afte...

Journal: :Angewandte Chemie 2022

Abstract On‐surface chemistry holds the potential for ultimate miniaturization of functional devices. Porphyrins are promising building‐blocks in exploring advanced nanoarchitecture concepts. More stable molecular materials practical interest with improved charge transfer properties can be achieved by covalently interconnecting units. synthesis allows to construct extended covalent nanostructur...

محمدی, بهنام, مهربان, حسین,

  This paper studies improved factorization method, in the heavy quark limit, for B→Kπ decays. Paying attention to strong interaction scale AQCD, and calculating all parameters depending on that in the particular scale (the same as µ ) show that we can obtain better and comparable results for branching ratios such as BR(B0 → K0 π 0 )=8.5+0.7-0.5 × 10-6 and BR(B →π k0)=2.26+0.17-0.15 × 10-5, and...

سلیمان نژاد, ژانت, همتی, فروزان, نصیبی پور, مینا,

The title compound (C10H9N2)[Cr(C6H7NO6)2](C10H8N2)∙2H2O or (4,4´-bipyH)[Cr(ntaH)2](4,4´-bipy)∙2H2O (ntaH3 is nitrilotriacetic acid) was synthesized by reaction of Cr(NO3)3∙9H2O with 4,4´-bipyridine, and nitrilotriacetic acid with 4:2:1 molar ratio in aqueous solution. The crystal structure of this complex was identified using X-ray crystallography. The unit cell parameters are as follows: a...

2013
G. Chiappe E. Louis A. Guijarro E. San-Fabián J. A. Vergés

The first few low-lying spin states of alternant polycyclic aromatic hydrocarbon (PAH) molecules of several shapes showing defect states induced by contour hydrogenation have been studied both by ab initio methods and by a precise numerical solution of Pariser-Parr-Pople (PPP) interacting model. In accordance with Lieb’s theorem, the ground state shows a spin multiplicity equal to one for balan...

Journal: :Dalton transactions 2016
Ya-Ping Ou Jing Zhang Fuxing Zhang Daizhi Kuang František Hartl Li Rao Sheng Hua Liu

Four new diruthenium complexes [{(η(5)-C5Me5)Ru(dppe)}2(μ-C[triple bond, length as m-dash]C-L-C[triple bond, length as m-dash]C)] featuring different bridging isomeric diethynyl benzodithiophenes viz. L = benzo[1,2-b;4,5-b']dithiophene (complex ), benzo[2,1-b;4,5-b']dithiophene (complex ), benzo[1,2-b;3,4-b']dithiophene (complex ) and benzo[1,2-b;4,3-b']dithiophene (complex ), were synthesized ...

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