About: Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe(phen)2(NCS)2Complexes: Results Obtained by IR and Raman Spectroscopy and DFT Calculations

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About: Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe(phen)2(NCS)2Complexes: Results Obtained by IR and Raman Spectroscopy and DFT Calculations Goto Sponge NotDistinct Permalink

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Attributes	Values
rdf:type	Item
description	article (en) wetenschappelijk artikel (nl) наукова стаття, опублікована в грудні 2002 (uk) im Dezember 2002 veröffentlichter wissenschaftlicher Artikel (de)
publication date	wds:Q57905534-40571027-97E2-49EC-9D7E-225D8B7B5B6F
publication date	2002-12-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57905534-EC589C2F-9AFF-47EC-89F7-ADC5C19E27E7
language of work or name	English
author name string	wds:Q57905534-056401CF-A116-484C-87D6-1FB4AA24F7C7 wds:Q57905534-22E82F81-D436-474F-892A-EC81D5F5A666
author name string	S. Schneider G. Brehm
rdfs:label	Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe (nl) Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe(phen)2(NCS)2Complexes: Results Obtained by IR and Raman Spectroscopy and DFT Calculations (en)
skos:prefLabel	Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe (nl) Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe(phen)2(NCS)2Complexes: Results Obtained by IR and Raman Spectroscopy and DFT Calculations (en)
name	Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe (nl) Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe(phen)2(NCS)2Complexes: Results Obtained by IR and Raman Spectroscopy and DFT Calculations (en)
author	wds:Q57905534-F993CECA-9990-4656-9EE4-BEFB63EA91F4
author	Markus Reiher
title	wds:Q57905534-64B20C88-BE37-4CFE-AA45-DD36F02D5B56
title	Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe(phen)2(NCS)2Complexes: Results Obtained by IR and Raman Spectroscopy and DFT Calculations (en)
page(s)	wds:Q57905534-BE2B0624-B219-41A0-BE97-A0A21297AB92
page(s)	12024-12034
instance of	wds:Q57905534-259B309B-F64E-4CB3-B0A3-91AF9EFF9A66
instance of	scholarly article
published in	wds:Q57905534-FFC99C6A-E70B-430E-8B40-F90FCF353F00
published in	Journal of Physical Chemistry A
issue	wds:Q57905534-9F19E09F-A73A-4CCE-B557-D856CA4943CA
volume	wds:Q57905534-7FE1947C-F2A7-41DC-BB26-301A400E41A0
issue	50
volume	106
number of pages	wds:Q57905534-098270E7-F736-48C4-9136-7ECA1B1221DF
number of pages	11 (xsd:decimal)
DOI	wds:Q57905534-4ADF22C9-7CA9-45E8-9DB2-F108031A5126
DOI	http://dx.doi.org/10.1021/JP026586O
DOI	10.1021/JP026586O
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57905534
is cites work of	A Two-Step Spin Transition and Order–Disorder Phenomena in the Mononuclear Compound [Fe(Hpy-DAPP)](BF4)2 Vibrational spectrum of the spin crossover complex [Fe(phen)(2)(NCS)(2)] studied by IR and Raman spectroscopy, nuclear inelastic scattering and DFT calculations. Insights into the crystal-packing effects on the spin crossover of [Fe(II)(1-bpp)](2+)-based materials. Interaction of α- and β-zearalenols with β-cyclodextrins. M(O)V(I)P(AC): vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations. Uncertainty quantification for quantum chemical models of complex reaction networks Vibrational study of the Fe(phen)2(NCS)2 spin-crossover complex by density-functional calculations A combined NMR and DFT study of conformational dynamics in lanthanide complexes of macrocyclic DOTA-like ligands. Charge transport properties of spin crossover systems Spin crossover complexes [Fe(NH2trz)3](X)2·nH2O investigated by means of polarized Raman scattering and DFT calculations Effect of Chelate Ring Size in Iron(II) Isothiocyanato Complexes with Tetradentate Tripyridyl-alkylamine Ligands on Spin Crossover Properties Spin-State-Dependent Properties of an Iron(III) Hydrogenase Mimic Spin State Crossover, Vibrational, Computational, and Structural Studies of FeII 1-Isopropyl-1H -tetrazole Derivatives Pressure Effect Studies on the Spin-Transition Behavior of a Dinuclear Iron(II) Compound Theoretical Study of the Raman Optical Activity Spectra of 310-Helical Polypeptides
is cites work of	wds:Q47638992-704DC6DF-9155-4370-8DB5-584DCB984F54 wds:Q51117347-83D537DA-C707-420C-AD79-D3BCD20B40B6 wds:Q79926044-0C4A9789-4C44-41C8-B314-C4B5F48691DF wds:Q38161769-2460747C-BDE2-49DD-8502-9FE6FED22BCE wds:Q44747564-307C9645-4AE0-4B58-9245-BCEF245BC6B9 wds:Q47595501-D3F1A6F2-3468-44C7-82F5-49DE9A5752A8 wds:Q57905290-EE8264FD-753E-4C8D-AF96-341013AB88C1 wds:Q105407827-CCF94D8A-ABBC-40D3-A668-A07C5C1BF06D wds:Q57348788-5B8CAC45-43AD-4451-AF23-26C1E81C4382 wds:Q39300792-8D6A1B1C-EE25-4788-A282-61C03163057A wds:Q53395316-028F2892-0856-47C6-8956-CDBA50D598A6 wds:Q60493123-AAE4AAF8-2D9C-427F-9788-B8CEA6DDB9E9 wds:Q62099176-79369B80-D4AF-48D7-85D2-A1C495328579 wds:Q48273504-56E056EF-C5C2-4692-9A78-4CF737D9FBC0 wds:Q58117899-009172BF-0DE8-4700-93C8-CBB41C5A6511

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