Matches in SemOpenAlex for { <https://semopenalex.org/work/W2053871911> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W2053871911 endingPage "6658" @default.
- W2053871911 startingPage "6653" @default.
- W2053871911 abstract "Electric transition moments of small peptides with known structure are calculated with a special version of the CNDO method. In this version called CNDO/OPTIC, a special procedure of configuration interaction (CI) is used which avoids strong oscillations in the results arising with changing the CI size. It is recommended that in the framework of the suggested method the Pariser approximation be used for two-center repulsion integrals when calculating optical properties of peptides near transitions. A description of electronic transition symmetry and transition moment directions is given. It is shown that in the case of myristamide the substitution of the hydrogen atom connected to the nitrogen atom by a methyl group changes the direction of the electric transition moment of the ππ* transition qualitatively in the same way as by the dimerization of this compound. The results are in good agreement with available experimental data." @default.
- W2053871911 created "2016-06-24" @default.
- W2053871911 creator A5021733145 @default.
- W2053871911 date "1987-12-01" @default.
- W2053871911 modified "2023-09-28" @default.
- W2053871911 title "Transition moment calculations on small peptides" @default.
- W2053871911 cites W1603266149 @default.
- W2053871911 cites W1671253067 @default.
- W2053871911 cites W1985932373 @default.
- W2053871911 cites W2013183110 @default.
- W2053871911 cites W2014003741 @default.
- W2053871911 cites W2029422828 @default.
- W2053871911 cites W2037352723 @default.
- W2053871911 cites W2048402897 @default.
- W2053871911 cites W2090973129 @default.
- W2053871911 cites W2115998560 @default.
- W2053871911 cites W2146467691 @default.
- W2053871911 cites W2148324073 @default.
- W2053871911 cites W2166172758 @default.
- W2053871911 cites W2168987312 @default.
- W2053871911 cites W2322606775 @default.
- W2053871911 cites W2330848199 @default.
- W2053871911 cites W2331716108 @default.
- W2053871911 cites W2331915758 @default.
- W2053871911 cites W3004877105 @default.
- W2053871911 doi "https://doi.org/10.1063/1.453400" @default.
- W2053871911 hasPublicationYear "1987" @default.
- W2053871911 type Work @default.
- W2053871911 sameAs 2053871911 @default.
- W2053871911 citedByCount "10" @default.
- W2053871911 crossrefType "journal-article" @default.
- W2053871911 hasAuthorship W2053871911A5021733145 @default.
- W2053871911 hasConcept C121332964 @default.
- W2053871911 hasConcept C147597530 @default.
- W2053871911 hasConcept C149635348 @default.
- W2053871911 hasConcept C178790620 @default.
- W2053871911 hasConcept C179254644 @default.
- W2053871911 hasConcept C184779094 @default.
- W2053871911 hasConcept C185592680 @default.
- W2053871911 hasConcept C198990423 @default.
- W2053871911 hasConcept C2524010 @default.
- W2053871911 hasConcept C26873012 @default.
- W2053871911 hasConcept C2776640939 @default.
- W2053871911 hasConcept C2779886137 @default.
- W2053871911 hasConcept C2781311116 @default.
- W2053871911 hasConcept C2993420144 @default.
- W2053871911 hasConcept C32909587 @default.
- W2053871911 hasConcept C33923547 @default.
- W2053871911 hasConcept C41008148 @default.
- W2053871911 hasConcept C41999313 @default.
- W2053871911 hasConcept C58312451 @default.
- W2053871911 hasConcept C62520636 @default.
- W2053871911 hasConcept C95306019 @default.
- W2053871911 hasConceptScore W2053871911C121332964 @default.
- W2053871911 hasConceptScore W2053871911C147597530 @default.
- W2053871911 hasConceptScore W2053871911C149635348 @default.
- W2053871911 hasConceptScore W2053871911C178790620 @default.
- W2053871911 hasConceptScore W2053871911C179254644 @default.
- W2053871911 hasConceptScore W2053871911C184779094 @default.
- W2053871911 hasConceptScore W2053871911C185592680 @default.
- W2053871911 hasConceptScore W2053871911C198990423 @default.
- W2053871911 hasConceptScore W2053871911C2524010 @default.
- W2053871911 hasConceptScore W2053871911C26873012 @default.
- W2053871911 hasConceptScore W2053871911C2776640939 @default.
- W2053871911 hasConceptScore W2053871911C2779886137 @default.
- W2053871911 hasConceptScore W2053871911C2781311116 @default.
- W2053871911 hasConceptScore W2053871911C2993420144 @default.
- W2053871911 hasConceptScore W2053871911C32909587 @default.
- W2053871911 hasConceptScore W2053871911C33923547 @default.
- W2053871911 hasConceptScore W2053871911C41008148 @default.
- W2053871911 hasConceptScore W2053871911C41999313 @default.
- W2053871911 hasConceptScore W2053871911C58312451 @default.
- W2053871911 hasConceptScore W2053871911C62520636 @default.
- W2053871911 hasConceptScore W2053871911C95306019 @default.
- W2053871911 hasIssue "11" @default.
- W2053871911 hasLocation W20538719111 @default.
- W2053871911 hasOpenAccess W2053871911 @default.
- W2053871911 hasPrimaryLocation W20538719111 @default.
- W2053871911 hasRelatedWork W106051050 @default.
- W2053871911 hasRelatedWork W2012395559 @default.
- W2053871911 hasRelatedWork W2021257164 @default.
- W2053871911 hasRelatedWork W2022732145 @default.
- W2053871911 hasRelatedWork W2053871911 @default.
- W2053871911 hasRelatedWork W2057622399 @default.
- W2053871911 hasRelatedWork W2072046673 @default.
- W2053871911 hasRelatedWork W2124159881 @default.
- W2053871911 hasRelatedWork W3023018591 @default.
- W2053871911 hasRelatedWork W4298450462 @default.
- W2053871911 hasVolume "87" @default.
- W2053871911 isParatext "false" @default.
- W2053871911 isRetracted "false" @default.
- W2053871911 magId "2053871911" @default.
- W2053871911 workType "article" @default.