FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2023895059> ?p ?o ?g. }

• W2023895059 endingPage "044509" @default.
• W2023895059 startingPage "044509" @default.
• W2023895059 abstract "The damped quantum rotation (DQR) theory describes temperature effects in NMR spectra of hindered molecular rotators composed of identical atoms arranged in regular N-gons. In the standard approach, the relevant coherent dynamics are described quantum mechanically and the stochastic, thermally activated motions classically. The DQR theory is consistent. In place of random jumps over one, two, etc., maxima of the hindering potential, here one has damping processes of certain long-lived coherences between spin-space correlated eigenstates of the rotator. The damping-rate constants outnumber the classical jump-rate constants. The jump picture is recovered when the former cluster appropriately around only as many values as the number of the latter. The DQR theory was confirmed experimentally for hindered methyl groups in solids and even in liquids above 170 K. In this paper it is shown that for three-, four-, and sixfold rotators, the Liouville space equations of NMR line shapes, derived previously with the use of the quantum mechanical reduced density matrix approach, can be be given a heuristic justification. It is based on an equation of motion for the effective spin density matrix, where the relevant spin hamiltonian contains randomly fluctuating terms. The occurrence of the latter can be rationalized in terms of fluctuations of the tunneling splittings between the torsional sublevels of the rotator, including momentary liftings of the Kramers degeneracies. The question whether such degeneracy liftings are physical or virtual is discussed. The random terms in the effective hamiltonian can be Monte Carlo modeled as piecewise constant in time, which affords the stochastic equation of motion to be solved numerically in the Hilbert spin space. For sixfold rotators, this way of calculating the spectra can be useful in the instances where the Liouville space formalism of the original DQR theory is numerically unstable." @default.
• W2023895059 created "2016-06-24" @default.
• W2023895059 creator A5000702674 @default.
• W2023895059 date "2011-01-28" @default.
• W2023895059 modified "2023-09-28" @default.
• W2023895059 title "A heuristic model of damped quantum rotation effects in nuclear magnetic resonance spectra" @default.
• W2023895059 cites W1555048232 @default.
• W2023895059 cites W1647301928 @default.
• W2023895059 cites W1981596913 @default.
• W2023895059 cites W1993846761 @default.
• W2023895059 cites W1994581241 @default.
• W2023895059 cites W2012959704 @default.
• W2023895059 cites W2015683881 @default.
• W2023895059 cites W2025116561 @default.
• W2023895059 cites W2032839191 @default.
• W2023895059 cites W2036147895 @default.
• W2023895059 cites W2039902612 @default.
• W2023895059 cites W2048948958 @default.
• W2023895059 cites W2062838008 @default.
• W2023895059 cites W2072845840 @default.
• W2023895059 cites W2077131033 @default.
• W2023895059 cites W2080462941 @default.
• W2023895059 cites W2089834052 @default.
• W2023895059 cites W2090494557 @default.
• W2023895059 cites W2137699782 @default.
• W2023895059 cites W2746718465 @default.
• W2023895059 cites W4237379548 @default.
• W2023895059 doi "https://doi.org/10.1063/1.3526943" @default.
• W2023895059 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21280750" @default.
• W2023895059 hasPublicationYear "2011" @default.
• W2023895059 type Work @default.
• W2023895059 sameAs 2023895059 @default.
• W2023895059 citedByCount "3" @default.
• W2023895059 countsByYear W20238950592012 @default.
• W2023895059 countsByYear W20238950592018 @default.
• W2023895059 countsByYear W20238950592019 @default.
• W2023895059 crossrefType "journal-article" @default.
• W2023895059 hasAuthorship W2023895059A5000702674 @default.
• W2023895059 hasConcept C121332964 @default.
• W2023895059 hasConcept C121864883 @default.
• W2023895059 hasConcept C126255220 @default.
• W2023895059 hasConcept C128805008 @default.
• W2023895059 hasConcept C130787639 @default.
• W2023895059 hasConcept C134306372 @default.
• W2023895059 hasConcept C158693339 @default.
• W2023895059 hasConcept C164660894 @default.
• W2023895059 hasConcept C33923547 @default.
• W2023895059 hasConcept C4839761 @default.
• W2023895059 hasConcept C56911000 @default.
• W2023895059 hasConcept C62520636 @default.
• W2023895059 hasConcept C74650414 @default.
• W2023895059 hasConcept C84114770 @default.
• W2023895059 hasConceptScore W2023895059C121332964 @default.
• W2023895059 hasConceptScore W2023895059C121864883 @default.
• W2023895059 hasConceptScore W2023895059C126255220 @default.
• W2023895059 hasConceptScore W2023895059C128805008 @default.
• W2023895059 hasConceptScore W2023895059C130787639 @default.
• W2023895059 hasConceptScore W2023895059C134306372 @default.
• W2023895059 hasConceptScore W2023895059C158693339 @default.
• W2023895059 hasConceptScore W2023895059C164660894 @default.
• W2023895059 hasConceptScore W2023895059C33923547 @default.
• W2023895059 hasConceptScore W2023895059C4839761 @default.
• W2023895059 hasConceptScore W2023895059C56911000 @default.
• W2023895059 hasConceptScore W2023895059C62520636 @default.
• W2023895059 hasConceptScore W2023895059C74650414 @default.
• W2023895059 hasConceptScore W2023895059C84114770 @default.
• W2023895059 hasIssue "4" @default.
• W2023895059 hasLocation W20238950591 @default.
• W2023895059 hasLocation W20238950592 @default.
• W2023895059 hasOpenAccess W2023895059 @default.
• W2023895059 hasPrimaryLocation W20238950591 @default.
• W2023895059 hasRelatedWork W1985729505 @default.
• W2023895059 hasRelatedWork W2041961018 @default.
• W2023895059 hasRelatedWork W2057322754 @default.
• W2023895059 hasRelatedWork W2075224230 @default.
• W2023895059 hasRelatedWork W2077634892 @default.
• W2023895059 hasRelatedWork W2083584397 @default.
• W2023895059 hasRelatedWork W2342168101 @default.
• W2023895059 hasRelatedWork W2963949087 @default.
• W2023895059 hasRelatedWork W4236266757 @default.
• W2023895059 hasRelatedWork W4299394772 @default.
• W2023895059 hasVolume "134" @default.
• W2023895059 isParatext "false" @default.
• W2023895059 isRetracted "false" @default.
• W2023895059 magId "2023895059" @default.
• W2023895059 workType "article" @default.