Matches in SemOpenAlex for { <https://semopenalex.org/work/W2015256337> ?p ?o ?g. }
Showing items 1 to 85 of
85
with 100 items per page.
- W2015256337 endingPage "1982" @default.
- W2015256337 startingPage "1973" @default.
- W2015256337 abstract "The minimum energy conformations are calculated for 2, 5-diketopiperazine (DKP) and its 3,6-dimethyl derivatives (DL-DMDKP and LL-DMDKP), using a consistent force field approach developed previously. The energy function parameters that were not required in earlier calculations on alkanes, amides, mid lactams are fitted to spectral and conformational data on the diketopiperazines. Vibrational assignments are suggested for DKP. Conformational energies are also determined over a range of selected values for ring dihedral angles, and the shape of the potential energy functions is examined over deviations from planarity. DKP and LL-DMDKP are found to have non-planar minimum energy conformations, separated from planar by less than a kcal/mole. DL-DMKP exhibits a nearly flat trough about the planar conformation. Calculations of minimum energies with one dihedral angle coordinate constrainted show a coupling between bond angles and dihedral angles in agreement with recent suggestions of Benedetti." @default.
- W2015256337 created "2016-06-24" @default.
- W2015256337 creator A5009259857 @default.
- W2015256337 creator A5030168035 @default.
- W2015256337 date "1971-10-01" @default.
- W2015256337 modified "2023-09-27" @default.
- W2015256337 title "Consistent force field calculations on 2,5-diketopiperazine and its 3.6-dimethyl derivatives" @default.
- W2015256337 cites W1968509480 @default.
- W2015256337 cites W1971768615 @default.
- W2015256337 cites W1974485738 @default.
- W2015256337 cites W2000508269 @default.
- W2015256337 cites W2054352455 @default.
- W2015256337 cites W2059833685 @default.
- W2015256337 cites W2066677535 @default.
- W2015256337 cites W2075077136 @default.
- W2015256337 doi "https://doi.org/10.1002/bip.360101014" @default.
- W2015256337 hasPublicationYear "1971" @default.
- W2015256337 type Work @default.
- W2015256337 sameAs 2015256337 @default.
- W2015256337 citedByCount "40" @default.
- W2015256337 countsByYear W20152563372017 @default.
- W2015256337 crossrefType "journal-article" @default.
- W2015256337 hasAuthorship W2015256337A5009259857 @default.
- W2015256337 hasAuthorship W2015256337A5030168035 @default.
- W2015256337 hasConcept C10803110 @default.
- W2015256337 hasConcept C112887158 @default.
- W2015256337 hasConcept C121332964 @default.
- W2015256337 hasConcept C121684516 @default.
- W2015256337 hasConcept C134786449 @default.
- W2015256337 hasConcept C147597530 @default.
- W2015256337 hasConcept C14961307 @default.
- W2015256337 hasConcept C178790620 @default.
- W2015256337 hasConcept C184779094 @default.
- W2015256337 hasConcept C185592680 @default.
- W2015256337 hasConcept C193547582 @default.
- W2015256337 hasConcept C2780378348 @default.
- W2015256337 hasConcept C32909587 @default.
- W2015256337 hasConcept C41008148 @default.
- W2015256337 hasConcept C41999313 @default.
- W2015256337 hasConcept C62520636 @default.
- W2015256337 hasConcept C68260962 @default.
- W2015256337 hasConcept C8010536 @default.
- W2015256337 hasConcept C84551667 @default.
- W2015256337 hasConcept C89025888 @default.
- W2015256337 hasConceptScore W2015256337C10803110 @default.
- W2015256337 hasConceptScore W2015256337C112887158 @default.
- W2015256337 hasConceptScore W2015256337C121332964 @default.
- W2015256337 hasConceptScore W2015256337C121684516 @default.
- W2015256337 hasConceptScore W2015256337C134786449 @default.
- W2015256337 hasConceptScore W2015256337C147597530 @default.
- W2015256337 hasConceptScore W2015256337C14961307 @default.
- W2015256337 hasConceptScore W2015256337C178790620 @default.
- W2015256337 hasConceptScore W2015256337C184779094 @default.
- W2015256337 hasConceptScore W2015256337C185592680 @default.
- W2015256337 hasConceptScore W2015256337C193547582 @default.
- W2015256337 hasConceptScore W2015256337C2780378348 @default.
- W2015256337 hasConceptScore W2015256337C32909587 @default.
- W2015256337 hasConceptScore W2015256337C41008148 @default.
- W2015256337 hasConceptScore W2015256337C41999313 @default.
- W2015256337 hasConceptScore W2015256337C62520636 @default.
- W2015256337 hasConceptScore W2015256337C68260962 @default.
- W2015256337 hasConceptScore W2015256337C8010536 @default.
- W2015256337 hasConceptScore W2015256337C84551667 @default.
- W2015256337 hasConceptScore W2015256337C89025888 @default.
- W2015256337 hasIssue "10" @default.
- W2015256337 hasLocation W20152563371 @default.
- W2015256337 hasOpenAccess W2015256337 @default.
- W2015256337 hasPrimaryLocation W20152563371 @default.
- W2015256337 hasRelatedWork W1970757884 @default.
- W2015256337 hasRelatedWork W1983371121 @default.
- W2015256337 hasRelatedWork W1987372093 @default.
- W2015256337 hasRelatedWork W1998276129 @default.
- W2015256337 hasRelatedWork W2015256337 @default.
- W2015256337 hasRelatedWork W2125896049 @default.
- W2015256337 hasRelatedWork W2223037200 @default.
- W2015256337 hasRelatedWork W2230376282 @default.
- W2015256337 hasRelatedWork W3121200228 @default.
- W2015256337 hasRelatedWork W4205742179 @default.
- W2015256337 hasVolume "10" @default.
- W2015256337 isParatext "false" @default.
- W2015256337 isRetracted "false" @default.
- W2015256337 magId "2015256337" @default.
- W2015256337 workType "article" @default.