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rdf:type
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Description
| - IR, Ramanova a ROA spectra jsou analyzována s důrazem na modelování silového pole. Harmonické frekvence získané 25 ab initio metodami jsou srovnány s experimentem. Role anharmonických interakcí v potenciálu a intenzitě je systematicky mapována pomocí self=konzistentního pole a vibrační konfihurační interakce. (cs)
- IR, Raman, and ROA spectra are analyzed with the emphasis on the force field modeling. Vibrational harmonic frequencies obtained with 25 ab initio methods are compared to experimental band positions. The role of anharmonic terms in the potential and intensity tensors is also systematically explored using the vibrational self-consistent field, vibrational configuration interaction.
- IR, Raman, and ROA spectra are analyzed with the emphasis on the force field modeling. Vibrational harmonic frequencies obtained with 25 ab initio methods are compared to experimental band positions. The role of anharmonic terms in the potential and intensity tensors is also systematically explored using the vibrational self-consistent field, vibrational configuration interaction. (en)
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Title
| - Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions
- Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions (en)
- Anharmonické efekty v IR, Ramanových a opticky aktivních spektrech alaninového a prolinového zwitteriontu (cs)
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skos:prefLabel
| - Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions
- Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions (en)
- Anharmonické efekty v IR, Ramanových a opticky aktivních spektrech alaninového a prolinového zwitteriontu (cs)
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skos:notation
| - RIV/61388963:_____/07:00087190!RIV08-AV0-61388963
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GA202/07/0732), P(GA203/06/0420), P(IAA400550702), Z(AV0Z40550506), Z(MSM0021620835)
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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/61388963:_____/07:00087190
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - IR; Raman; ROA spectra; Anharmonic effects (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Journal of Chemical Physics
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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
| - Bednárová, Lucie
- Bouř, Petr
- Kopecký, V.
- Kapitán, Josef
- Baumruk, V.
- Daněček, Petr
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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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