نتایج جستجو برای: polyacetylene

تعداد نتایج: 451  

Journal: :E3S web of conferences 2021

The article presents the results of study Artemisia scoparia Waldst. & Kit. (paniculate wormwood) and annua L. (annual wormwood), grown in Nikitsky Botanical Garden - National Scientific Center Russian Academy Sciences (NBG-NSC RAS). is originator cv. varieties. Tavrida Novichok, which are included Register varieties Russia allowed for distribution south Russia. Both interest as resource ha...

Journal: :Physical review letters 1989
Vogl Campbell

We report first-principles local-density-functional pseudopotential calculations of static and dynamic electronic structure properties of crystalline 3D trans (CH-) " We .find a broken-symmetry ground state of P21/a symmetry with in-phase dimerizations. Using a Green's-function technique, we show that the 3D character of the electronic band-edge states strongly suppresses self-trapping, destabi...

2004
VALENTIN MONEV MILENA SPASSOVA BENOÎT CHAMPAGNE

We present a comparative study of the AIM, CHELPG, GAPT, MK, Mulliken, NPA, and RESP charge distributions associated with a positively charged soliton on increasingly large trans-polyacetylene chains, at HF, MP2, and DFT levels of theory. The charge storage in the soliton-bearing systems is explored in detail, including charge magnitude, charge separation, charge alternation, and chain length e...

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