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The investigation of second-order nonlinear optical properties of p-nitrophenylazoaniline: second harmonic generation and ab initio computations

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F12%3A00390631" target="_blank" >RIV/68378271:_____/12:00390631 - isvavai.cz</a>

  • Alternative codes found

    RIV/00216208:11320/12:10126373 RIV/00216208:11310/12:10126373

  • Result on the web

    <a href="http://dx.doi.org/10.1142/S0219633612500149" target="_blank" >http://dx.doi.org/10.1142/S0219633612500149</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1142/S0219633612500149" target="_blank" >10.1142/S0219633612500149</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    The investigation of second-order nonlinear optical properties of p-nitrophenylazoaniline: second harmonic generation and ab initio computations

  • Original language description

    For p-nitrophenylazoaniline the electric dipole moment, dispersion-free dipole polarizabilities and first hyperpolarizabilities have been determined by density functional theory (DFT) quantum chemical calculations at B3LYP/ 6-311+G(d, p) level. Title compound has been synthesized and characterized by FT-IR, 1H-NMR and UV-Vis spectroscopies and measurements of second harmonic generation (SHG) at 800nm and 1064nm have been performed.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    BM - Solid-state physics and magnetism

  • OECD FORD branch

Result continuities

  • Project

    <a href="/en/project/GA203%2F09%2F0878" target="_blank" >GA203/09/0878: Crystal engineering of hydrogen bonded materials for non-linear optics</a><br>

  • Continuities

    Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2012

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Theoretical & Computational Chemistry

  • ISSN

    0219-6336

  • e-ISSN

  • Volume of the periodical

    11

  • Issue of the periodical within the volume

    1

  • Country of publishing house

    SG - SINGAPORE

  • Number of pages

    13

  • Pages from-to

    209-221

  • UT code for WoS article

    000300432900014

  • EID of the result in the Scopus database