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  • The effect of the neon matrix on the vibrational spectra of solvated Ag+CO was investigated. The adopted approach is based on the full-dimensional coupled-clusters description of the bare molecular ion, extended with the Monte Carlo averaging of frequency shift due to the interaction with the Ne matrix. The effect of the Ne matrix is rather weak, estimated = -2.5 cm-1. The calculated (CO)= 2231 cm-1 of the Ag+CO ion in the Ne matrix agrees within 2 cm-1 with the experimentally observed frequency 2233 cm-1.
  • The effect of the neon matrix on the vibrational spectra of solvated Ag+CO was investigated. The adopted approach is based on the full-dimensional coupled-clusters description of the bare molecular ion, extended with the Monte Carlo averaging of frequency shift due to the interaction with the Ne matrix. The effect of the Ne matrix is rather weak, estimated = -2.5 cm-1. The calculated (CO)= 2231 cm-1 of the Ag+CO ion in the Ne matrix agrees within 2 cm-1 with the experimentally observed frequency 2233 cm-1. (en)
Title
  • Theoretical Investigation of the Vibrational Dynamics of Ag+CO Solvated in the Ne Matrix.
  • Theoretical Investigation of the Vibrational Dynamics of Ag+CO Solvated in the Ne Matrix. (en)
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  • Theoretical Investigation of the Vibrational Dynamics of Ag+CO Solvated in the Ne Matrix.
  • Theoretical Investigation of the Vibrational Dynamics of Ag+CO Solvated in the Ne Matrix. (en)
skos:notation
  • RIV/61388955:_____/03:54030114!RIV/2004/AV0/A54004/N
http://linked.open.../vavai/riv/strany
  • 54;58
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(LN00A032), Z(AV0Z4040901)
http://linked.open...iv/cisloPeriodika
  • 1/2
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
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  • 630829
http://linked.open...ai/riv/idVysledku
  • RIV/61388955:_____/03:54030114
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  • density-functional; calculations; metal-carbonyl cations (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • NL - Nizozemsko
http://linked.open...ontrolniKodProRIV
  • [0B284EE7EC2E]
http://linked.open...i/riv/nazevZdroje
  • Chemical Physics Letters
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...ocetUcastnikuAkce
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http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 375
http://linked.open...iv/tvurceVysledku
  • Bludský, Ota
  • Nachtigall, Petr
  • Šilhan, Martin
http://linked.open...n/vavai/riv/zamer
issn
  • 0009-2614
number of pages
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