About: Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid

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About: Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://dx.doi.org/10.1016/j.chemphys.2013.03.023
Description	The method of analytic continuation in the coupling constant (ACCC) in combination with use of the statistical Pade approximation is applied to the determination of resonance energy and width of some amino acids and formic acid dimer. Standard quantum chemistry codes provide accurate data which can be used for analytic continuation in the coupling constant to obtain the resonance energy and width of organic molecules with a good accuracy. The obtained results are compared with the existing experimental ones. The method of analytic continuation in the coupling constant (ACCC) in combination with use of the statistical Pade approximation is applied to the determination of resonance energy and width of some amino acids and formic acid dimer. Standard quantum chemistry codes provide accurate data which can be used for analytic continuation in the coupling constant to obtain the resonance energy and width of organic molecules with a good accuracy. The obtained results are compared with the existing experimental ones. (en)
Title	Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid (en)
skos:prefLabel	Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid (en)
skos:notation	RIV/00216208:11320/13:10188957!RIV14-GA0-11320___
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GAP203/12/0665)
http://linked.open...iv/cisloPeriodika	3 June 2013
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Horáček, Jiří
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Karlova v Praze / Matematicko-fyzikální fakulta
http://linked.open...dnocenehoVysledku	60764
http://linked.open...ai/riv/idVysledku	RIV/00216208:11320/13:10188957
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Statistical Pade approximation; Vertical attachment energy; Resonances; Analytic continuation (en)
http://linked.open.../riv/klicoveSlovo	Analytic continuation Statistical Pade approximation Vertical attachment energy Resonances
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[FFE275B2DBCC]
http://linked.open...i/riv/nazevZdroje	Chemical Physics
http://linked.open...in/vavai/riv/obor	BE
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Molecular resonances and their dynamics
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	418
http://linked.open...iv/tvurceVysledku	Horáček, Jiří Urban, J. Mach, P. Matejčík, S. Paidarová, I. Papp, P.
http://linked.open...ain/vavai/riv/wos	000319384500002
issn	0301-0104
number of pages	6 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.chemphys.2013.03.023
http://localhost/t...ganizacniJednotka	11320

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