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Description
| - The chloride and L-tartrate salts of the 2,4-diaminoquinazolinium(1+) were prepared and characterized by both X-ray diffraction and infrared spectroscopy. The potential of the 2,4-diaminoquinazolinium(1+) cation as a building block for materials for nonlinear optics was assessed using quantum mechanical computations. Both 2,4-diaminoquinazolinium(1+) chloride dihydrate (a = 7.2121(1) , b = 8.0105(2) , c = 18.6157(5) , beta = 92.493(1)A degrees, V = 1074.46(4) (3), Z = 4, R = 0.0305 for 4605 observed reflections) and 2,4-diaminoquinazolinium(1+) l-tartrate dihydrate (a = 7.2899(2) , b = 11.9508(2) , c = 13.4183(3) , beta = 92.375(2)A degrees, V = 1168.00(5) (3), Z = 2, R = 0.0367 for 4761 observed reflections) belong to the monoclinic space group P2(1). They are stable, non-hygroscopic, colorless and exhibit non-zero SHG efficiency for powdered samples. Two novel non-centrosymmetric salts of 2,4-diaminoquinazolinium(1+) were prepared and thoroughly characterized during the search for materials for the second harmonic generation.
- The chloride and L-tartrate salts of the 2,4-diaminoquinazolinium(1+) were prepared and characterized by both X-ray diffraction and infrared spectroscopy. The potential of the 2,4-diaminoquinazolinium(1+) cation as a building block for materials for nonlinear optics was assessed using quantum mechanical computations. Both 2,4-diaminoquinazolinium(1+) chloride dihydrate (a = 7.2121(1) , b = 8.0105(2) , c = 18.6157(5) , beta = 92.493(1)A degrees, V = 1074.46(4) (3), Z = 4, R = 0.0305 for 4605 observed reflections) and 2,4-diaminoquinazolinium(1+) l-tartrate dihydrate (a = 7.2899(2) , b = 11.9508(2) , c = 13.4183(3) , beta = 92.375(2)A degrees, V = 1168.00(5) (3), Z = 2, R = 0.0367 for 4761 observed reflections) belong to the monoclinic space group P2(1). They are stable, non-hygroscopic, colorless and exhibit non-zero SHG efficiency for powdered samples. Two novel non-centrosymmetric salts of 2,4-diaminoquinazolinium(1+) were prepared and thoroughly characterized during the search for materials for the second harmonic generation. (en)
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Title
| - Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on a Promising Polarizable Cation
- Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on a Promising Polarizable Cation (en)
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skos:prefLabel
| - Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on a Promising Polarizable Cation
- Novel Salts of 2,4-Diaminoquinazoline: Searching for Materials for Second Harmonic Generation Based on a Promising Polarizable Cation (en)
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skos:notation
| - RIV/00216208:11310/12:10126371!RIV13-GA0-11310___
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http://linked.open...avai/predkladatel
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - I, P(GA203/09/0878), S, Z(MSM0021620857)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/00216208:11310/12:10126371
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - 2,4-diaminoquinazoline; non-centrosymmetric assembly; ab initio calculation; hyperpolarizability; second harmonic generation; nonlinear optics (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Journal of Chemical Crystallography
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Císařová, Ivana
- Němec, Ivan
- Němec, Petr
- Tesařová, Naďa
- Fridrichová, Michaela
- Karakas, Asli
- Kahraman, Nihal
- Taser, Mehmet
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http://linked.open...ain/vavai/riv/wos
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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http://bibframe.org/vocab/doi
| - 10.1007/s10870-012-0318-5
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http://localhost/t...ganizacniJednotka
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is http://linked.open...avai/riv/vysledek
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