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... Several approximations of the dependence of the Mulliken atomic charges and dipole moments of the crystallographically independent oxygen atoms calculated with the STO-3G, ps-21G , and 6-21G basis sets are obtained with respect to three oxygen parameters (i.e. average value and difference between the AlO and PO bond distances, and AlOP angle). ... The absolute values of the dipole moments calculated with the ps-21G and 6-21G basis sets decrease almost linearly with angle (Fig. 4 and Table 5). ...
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organic papers Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 4-Methyl-1-(3-nitrophenacyl)-5,6,7,8-tetrahydroquinolin-2(1H)-one Dmitry V. Albov,* Victor B. Rybakov, Eugene V. Babaev and Leonid A. Aslanov Department of Chemistry, Moscow State University, 119992 Moscow, Russian Federation Correspondence e-mail: albov@struct.chem.msu.ru In the pyridone ring of the title compound, C18H18N2O4, single and double bonds alternate, showing some degree of conjugation. ... Acta Cryst. ...
... The THG spectra reveal an intensity enhancement at the photonic band gap edge of these photonic crystals and at the resonance of the fundamental radiation with the microcavity mode. ... Photonic-crystal microcavities are grown from mesoporous silicon. ... In conclusion, THG spectroscopy of one-dimensional photonic crystals formed from mesoporous silicon reveals an intensity enhancement at the PBG edge up to 103 in compari- son with that outside the photonic band gap. ... Rasing, Phys. Rev. Lett. ...
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Ссылки http://shg.phys.msu.ru/ruscon/articles/pdf/04_PRB70_73311.pdf -- 282.2 Кб -- 12.03.2008 Похожие документы
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