Matches in SemOpenAlex for { <https://semopenalex.org/work/W1979610529> ?p ?o ?g. }
Showing items 1 to 96 of
96
with 100 items per page.
- W1979610529 endingPage "732" @default.
- W1979610529 startingPage "718" @default.
- W1979610529 abstract "The enantioselective binding of optical analytes on chiral stationary phases used in column chromatography is investigated with molecular modeling techniques. By rolling the analytes over the van der Waals surface of the phase, configurations are sampled and free energies of transient diastereomeric complexes are computed. These free energies allow us to compute chromatographic separability factors and a linear relationship between computed and observed values is found. The intermolecular potential energy surfaces of these diastereomeric complexes are flat with gentle rolling hills and multiple minima. The binding sites are ill-defined and the analytes are found to freely slide over the chiral stationary phases. An energy partitioning algorithm is used to determine how much of the total binding energy is attributable to a given molecular fragment on the phase. It is found that the fragments of the phase bearing the stereogenic carbons are the least cognizant of differences between optical antipodes." @default.
- W1979610529 created "2016-06-24" @default.
- W1979610529 creator A5029338402 @default.
- W1979610529 creator A5045018891 @default.
- W1979610529 creator A5079564319 @default.
- W1979610529 date "1989-07-01" @default.
- W1979610529 modified "2023-09-26" @default.
- W1979610529 title "Theoretical studies in molecular recognition: Enantioselectivity in chiral chromatography" @default.
- W1979610529 cites W104034716 @default.
- W1979610529 cites W1491964347 @default.
- W1979610529 cites W1978590775 @default.
- W1979610529 cites W1985580247 @default.
- W1979610529 cites W1992778116 @default.
- W1979610529 cites W1996680354 @default.
- W1979610529 cites W1998897298 @default.
- W1979610529 cites W2000551858 @default.
- W1979610529 cites W2000639229 @default.
- W1979610529 cites W2001648030 @default.
- W1979610529 cites W2010413663 @default.
- W1979610529 cites W2011537100 @default.
- W1979610529 cites W2019404330 @default.
- W1979610529 cites W2022662530 @default.
- W1979610529 cites W2034094876 @default.
- W1979610529 cites W2039419571 @default.
- W1979610529 cites W2041592134 @default.
- W1979610529 cites W2044857280 @default.
- W1979610529 cites W2049532275 @default.
- W1979610529 cites W2050306740 @default.
- W1979610529 cites W2051622977 @default.
- W1979610529 cites W2056716040 @default.
- W1979610529 cites W2067078698 @default.
- W1979610529 cites W2068326342 @default.
- W1979610529 cites W2069148586 @default.
- W1979610529 cites W2074277929 @default.
- W1979610529 cites W2075191182 @default.
- W1979610529 cites W2080083270 @default.
- W1979610529 cites W2085003868 @default.
- W1979610529 cites W2088115171 @default.
- W1979610529 cites W2088600439 @default.
- W1979610529 cites W2090558943 @default.
- W1979610529 cites W2097594212 @default.
- W1979610529 cites W2099085400 @default.
- W1979610529 cites W2101479143 @default.
- W1979610529 cites W2125624148 @default.
- W1979610529 cites W2140020886 @default.
- W1979610529 cites W2143886230 @default.
- W1979610529 cites W2155430111 @default.
- W1979610529 cites W2482115824 @default.
- W1979610529 cites W2499783595 @default.
- W1979610529 cites W2625177608 @default.
- W1979610529 cites W4230636970 @default.
- W1979610529 cites W4245429107 @default.
- W1979610529 cites W4246461984 @default.
- W1979610529 doi "https://doi.org/10.1002/jcc.540100513" @default.
- W1979610529 hasPublicationYear "1989" @default.
- W1979610529 type Work @default.
- W1979610529 sameAs 1979610529 @default.
- W1979610529 citedByCount "37" @default.
- W1979610529 countsByYear W19796105292020 @default.
- W1979610529 crossrefType "journal-article" @default.
- W1979610529 hasAuthorship W1979610529A5029338402 @default.
- W1979610529 hasAuthorship W1979610529A5045018891 @default.
- W1979610529 hasAuthorship W1979610529A5079564319 @default.
- W1979610529 hasConcept C147597530 @default.
- W1979610529 hasConcept C178790620 @default.
- W1979610529 hasConcept C179303850 @default.
- W1979610529 hasConcept C185592680 @default.
- W1979610529 hasConcept C32909587 @default.
- W1979610529 hasConcept C43617362 @default.
- W1979610529 hasConceptScore W1979610529C147597530 @default.
- W1979610529 hasConceptScore W1979610529C178790620 @default.
- W1979610529 hasConceptScore W1979610529C179303850 @default.
- W1979610529 hasConceptScore W1979610529C185592680 @default.
- W1979610529 hasConceptScore W1979610529C32909587 @default.
- W1979610529 hasConceptScore W1979610529C43617362 @default.
- W1979610529 hasIssue "5" @default.
- W1979610529 hasLocation W19796105291 @default.
- W1979610529 hasOpenAccess W1979610529 @default.
- W1979610529 hasPrimaryLocation W19796105291 @default.
- W1979610529 hasRelatedWork W1969116739 @default.
- W1979610529 hasRelatedWork W2008817670 @default.
- W1979610529 hasRelatedWork W2033589463 @default.
- W1979610529 hasRelatedWork W2333189709 @default.
- W1979610529 hasRelatedWork W2944657810 @default.
- W1979610529 hasRelatedWork W2951375394 @default.
- W1979610529 hasRelatedWork W2953261074 @default.
- W1979610529 hasRelatedWork W3045648531 @default.
- W1979610529 hasRelatedWork W4250311452 @default.
- W1979610529 hasRelatedWork W2510219280 @default.
- W1979610529 hasVolume "10" @default.
- W1979610529 isParatext "false" @default.
- W1979610529 isRetracted "false" @default.
- W1979610529 magId "1979610529" @default.
- W1979610529 workType "article" @default.