FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2073615268> ?p ?o ?g. }

• W2073615268 abstract "Ab initio calculations of the shapes of pure CO2 infrared and Raman bands under (pressure) conditions for which line-mixing effects are important have been performed using requantized classical molecular dynamics simulations. This approach provides the autocorrelation functions of the dipole vector and isotropic polarizability whose Fourier-Laplace transforms yield the corresponding spectra. For that, the classical equations of dynamics are solved for each molecule among several millions treated as linear rigid rotors and interacting through an anisotropic intermolecular potential. Two of the approximations used in the previous studies have been corrected, allowing the consideration of line-mixing effects without use of any adjusted parameters. The comparisons between calculated and experimental spectra under various conditions of pressure and temperature demonstrate the quality of the theoretical model. This opens promising perspectives for first principle ab initio predictions of line-mixing effects in absorption and scattering spectra of various systems involving linear molecules." @default.
• W2073615268 created "2016-06-24" @default.
• W2073615268 creator A5013032665 @default.
• W2073615268 creator A5018461047 @default.
• W2073615268 creator A5040260710 @default.
• W2073615268 creator A5041321676 @default.
• W2073615268 creator A5066028329 @default.
• W2073615268 creator A5078809810 @default.
• W2073615268 creator A5088913923 @default.
• W2073615268 date "2013-06-28" @default.
• W2073615268 modified "2023-10-16" @default.
• W2073615268 title "Molecular dynamics simulations for CO₂ spectra. IV. Collisional line-mixing in infrared and Raman bands" @default.
• W2073615268 cites W1647509073 @default.
• W2073615268 cites W1973845751 @default.
• W2073615268 cites W1975042921 @default.
• W2073615268 cites W1985952763 @default.
• W2073615268 cites W1986128361 @default.
• W2073615268 cites W1987768674 @default.
• W2073615268 cites W1989208980 @default.
• W2073615268 cites W1990663561 @default.
• W2073615268 cites W1997232968 @default.
• W2073615268 cites W2004383970 @default.
• W2073615268 cites W2004791094 @default.
• W2073615268 cites W2035896872 @default.
• W2073615268 cites W2039273905 @default.
• W2073615268 cites W2040137680 @default.
• W2073615268 cites W2050450147 @default.
• W2073615268 cites W2051965769 @default.
• W2073615268 cites W2059882221 @default.
• W2073615268 cites W2061205477 @default.
• W2073615268 cites W2061399048 @default.
• W2073615268 cites W2063241596 @default.
• W2073615268 cites W2063958658 @default.
• W2073615268 cites W2070805661 @default.
• W2073615268 cites W2079474686 @default.
• W2073615268 cites W2092016590 @default.
• W2073615268 cites W2109180254 @default.
• W2073615268 cites W2118594636 @default.
• W2073615268 cites W2329546807 @default.
• W2073615268 cites W4244904241 @default.
• W2073615268 cites W4300792471 @default.
• W2073615268 doi "https://doi.org/10.1063/1.4811518" @default.
• W2073615268 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23822247" @default.
• W2073615268 hasPublicationYear "2013" @default.
• W2073615268 type Work @default.
• W2073615268 sameAs 2073615268 @default.
• W2073615268 citedByCount "11" @default.
• W2073615268 countsByYear W20736152682014 @default.
• W2073615268 countsByYear W20736152682016 @default.
• W2073615268 countsByYear W20736152682017 @default.
• W2073615268 countsByYear W20736152682018 @default.
• W2073615268 countsByYear W20736152682021 @default.
• W2073615268 countsByYear W20736152682022 @default.
• W2073615268 countsByYear W20736152682023 @default.
• W2073615268 crossrefType "journal-article" @default.
• W2073615268 hasAuthorship W2073615268A5013032665 @default.
• W2073615268 hasAuthorship W2073615268A5018461047 @default.
• W2073615268 hasAuthorship W2073615268A5040260710 @default.
• W2073615268 hasAuthorship W2073615268A5041321676 @default.
• W2073615268 hasAuthorship W2073615268A5066028329 @default.
• W2073615268 hasAuthorship W2073615268A5078809810 @default.
• W2073615268 hasAuthorship W2073615268A5088913923 @default.
• W2073615268 hasBestOaLocation W20736152682 @default.
• W2073615268 hasConcept C102519508 @default.
• W2073615268 hasConcept C120665830 @default.
• W2073615268 hasConcept C121332964 @default.
• W2073615268 hasConcept C138777275 @default.
• W2073615268 hasConcept C139287275 @default.
• W2073615268 hasConcept C153642686 @default.
• W2073615268 hasConcept C158355884 @default.
• W2073615268 hasConcept C166950319 @default.
• W2073615268 hasConcept C169573571 @default.
• W2073615268 hasConcept C173523689 @default.
• W2073615268 hasConcept C178790620 @default.
• W2073615268 hasConcept C183971685 @default.
• W2073615268 hasConcept C184050105 @default.
• W2073615268 hasConcept C185592680 @default.
• W2073615268 hasConcept C198352243 @default.
• W2073615268 hasConcept C205463323 @default.
• W2073615268 hasConcept C2524010 @default.
• W2073615268 hasConcept C2781442258 @default.
• W2073615268 hasConcept C32909587 @default.
• W2073615268 hasConcept C33923547 @default.
• W2073615268 hasConcept C40003534 @default.
• W2073615268 hasConcept C41999313 @default.
• W2073615268 hasConcept C4839761 @default.
• W2073615268 hasConcept C62520636 @default.
• W2073615268 hasConceptScore W2073615268C102519508 @default.
• W2073615268 hasConceptScore W2073615268C120665830 @default.
• W2073615268 hasConceptScore W2073615268C121332964 @default.
• W2073615268 hasConceptScore W2073615268C138777275 @default.
• W2073615268 hasConceptScore W2073615268C139287275 @default.
• W2073615268 hasConceptScore W2073615268C153642686 @default.
• W2073615268 hasConceptScore W2073615268C158355884 @default.
• W2073615268 hasConceptScore W2073615268C166950319 @default.
• W2073615268 hasConceptScore W2073615268C169573571 @default.
• W2073615268 hasConceptScore W2073615268C173523689 @default.
• W2073615268 hasConceptScore W2073615268C178790620 @default.
• W2073615268 hasConceptScore W2073615268C183971685 @default.
• W2073615268 hasConceptScore W2073615268C184050105 @default.

• next