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Description
  • In this work we present the theoretical investigations of the UV-vis absorption spectra of the imidazole-derived push-pull molecules. The geometries of all molecules were optimized in the gas phase (in a vacuum) and then the electronic properties were affected by solvents.
  • In this work we present the theoretical investigations of the UV-vis absorption spectra of the imidazole-derived push-pull molecules. The geometries of all molecules were optimized in the gas phase (in a vacuum) and then the electronic properties were affected by solvents. (en)
Title
  • Peculiarities of the Environmental Influence on the Optical Properties of Push-Pull Nonlinear Optical Molecules: A Theoretical Study
  • Peculiarities of the Environmental Influence on the Optical Properties of Push-Pull Nonlinear Optical Molecules: A Theoretical Study (en)
skos:prefLabel
  • Peculiarities of the Environmental Influence on the Optical Properties of Push-Pull Nonlinear Optical Molecules: A Theoretical Study
  • Peculiarities of the Environmental Influence on the Optical Properties of Push-Pull Nonlinear Optical Molecules: A Theoretical Study (en)
skos:notation
  • RIV/00216275:25310/11:39892108!RIV12-MSM-25310___
http://linked.open...avai/riv/aktivita
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  • Z(MSM0021627501)
http://linked.open...iv/cisloPeriodika
  • 44
http://linked.open...vai/riv/dodaniDat
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  • 219800
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  • RIV/00216275:25310/11:39892108
http://linked.open...riv/jazykVysledku
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  • Polymer Matrix; Energy Gradients; Excited-States; Ab-Initio; Geometry Optimization; Hartree-Fock Thheory (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [9853E6F18292]
http://linked.open...i/riv/nazevZdroje
  • Journal of Physical Chemistry A
http://linked.open...in/vavai/riv/obor
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http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 115
http://linked.open...iv/tvurceVysledku
  • Bureš, Filip
  • Kulhánek, Jiří
  • Kityk, Ivan
  • Makowska-Janusik, Malgorzata
http://linked.open...ain/vavai/riv/wos
  • 000296393500022
http://linked.open...n/vavai/riv/zamer
issn
  • 1089-5639
number of pages
http://bibframe.org/vocab/doi
  • 10.1021/jp2013539
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  • 25310
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