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Description
| - V práci jsou publikována experimentální a teoreticky spočtená spektra 9-ethyl guaninu, guanosinu a 2-deoxyguanosinu. V práci je demonstrována úspěšnost predikce spekter metodou RI-DFT-D. (cs)
- We present the mid-IR (400-1800 cm-1) spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine measured by IR-UV double-resonance spectroscopy. We compare the recorded mid-IR spectra with the spectra of the most stable structures obtained from RI-MP2 and RI-DFT-D calculations. The results confirm the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions.
- We present the mid-IR (400-1800 cm-1) spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine measured by IR-UV double-resonance spectroscopy. We compare the recorded mid-IR spectra with the spectra of the most stable structures obtained from RI-MP2 and RI-DFT-D calculations. The results confirm the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions. (en)
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Title
| - The Mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine
- The Mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine (en)
- IČ spektra 9-ethyl guanimu, guanosinu, 2-deoxyguanosinu (cs)
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skos:prefLabel
| - The Mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine
- The Mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine (en)
- IČ spektra 9-ethyl guanimu, guanosinu, 2-deoxyguanosinu (cs)
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skos:notation
| - RIV/61388963:_____/07:00086039!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(GA203/05/0009), P(LC512), Z(AV0Z40550506)
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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:_____/07:00086039
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - IR spectrum; guanine; deoxyguanosine (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 Physical Chemistry A
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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
| - Hobza, Pavel
- Kabeláč, Martin
- de Vries, M. S.
- Abo-Riziq, A.
- Crews, B. O.
- Meijer, G.
- Compagnon, I.
- Oomens, J.
- Von Helden, G.
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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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