Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022798320> ?p ?o ?g. }
Showing items 1 to 87 of
87
with 100 items per page.
- W2022798320 endingPage "153" @default.
- W2022798320 startingPage "146" @default.
- W2022798320 abstract "Results from ab initio self-consistent field (SCF) calculations with a 3-21G and a double-zeta-plus polarization (DZP) basis set on four low-energy conformations of cyclohexaglycine are reported. In agreement with results from semiempirical and molecular mechanics force field calculations, the lowest-energy conformation found at the DZP level is a conformation forming six C7 turns. However, the energy difference to the β-turn conformers is significantly smaller at the ab initio DZP level than calculated by the other methods. In contrast to the results obtained with some of the other methods, the present ab initio calculations show that both the double-type-I β turn and the double-type-II β-turn conformer of cyclohexaglycine are stable low-energy structures. © 1995 by John Wiley & Sons, Inc." @default.
- W2022798320 created "2016-06-24" @default.
- W2022798320 creator A5024389890 @default.
- W2022798320 creator A5037468669 @default.
- W2022798320 date "1995-02-01" @default.
- W2022798320 modified "2023-09-26" @default.
- W2022798320 title "<i>Ab initio</i>SCF calculations on low-energy conformers of cyclohexaglycine" @default.
- W2022798320 cites W1975914851 @default.
- W2022798320 cites W1976650071 @default.
- W2022798320 cites W2003140248 @default.
- W2022798320 cites W2007434121 @default.
- W2022798320 cites W2011414783 @default.
- W2022798320 cites W2011569110 @default.
- W2022798320 cites W2014036898 @default.
- W2022798320 cites W2028022118 @default.
- W2022798320 cites W2037383234 @default.
- W2022798320 cites W2042718452 @default.
- W2022798320 cites W2043335449 @default.
- W2022798320 cites W2064149211 @default.
- W2022798320 cites W2072727828 @default.
- W2022798320 cites W2077973224 @default.
- W2022798320 cites W2079473982 @default.
- W2022798320 cites W2100816704 @default.
- W2022798320 cites W2146088099 @default.
- W2022798320 cites W2147303166 @default.
- W2022798320 cites W2170249130 @default.
- W2022798320 cites W4230151690 @default.
- W2022798320 cites W4300611374 @default.
- W2022798320 doi "https://doi.org/10.1002/jcc.540160203" @default.
- W2022798320 hasPublicationYear "1995" @default.
- W2022798320 type Work @default.
- W2022798320 sameAs 2022798320 @default.
- W2022798320 citedByCount "8" @default.
- W2022798320 crossrefType "journal-article" @default.
- W2022798320 hasAuthorship W2022798320A5024389890 @default.
- W2022798320 hasAuthorship W2022798320A5037468669 @default.
- W2022798320 hasConcept C10803110 @default.
- W2022798320 hasConcept C121332964 @default.
- W2022798320 hasConcept C147597530 @default.
- W2022798320 hasConcept C152365726 @default.
- W2022798320 hasConcept C178790620 @default.
- W2022798320 hasConcept C183971685 @default.
- W2022798320 hasConcept C184779094 @default.
- W2022798320 hasConcept C185592680 @default.
- W2022798320 hasConcept C18705241 @default.
- W2022798320 hasConcept C2781442258 @default.
- W2022798320 hasConcept C32909587 @default.
- W2022798320 hasConcept C41999313 @default.
- W2022798320 hasConcept C62520636 @default.
- W2022798320 hasConcept C65956243 @default.
- W2022798320 hasConcept C84551667 @default.
- W2022798320 hasConceptScore W2022798320C10803110 @default.
- W2022798320 hasConceptScore W2022798320C121332964 @default.
- W2022798320 hasConceptScore W2022798320C147597530 @default.
- W2022798320 hasConceptScore W2022798320C152365726 @default.
- W2022798320 hasConceptScore W2022798320C178790620 @default.
- W2022798320 hasConceptScore W2022798320C183971685 @default.
- W2022798320 hasConceptScore W2022798320C184779094 @default.
- W2022798320 hasConceptScore W2022798320C185592680 @default.
- W2022798320 hasConceptScore W2022798320C18705241 @default.
- W2022798320 hasConceptScore W2022798320C2781442258 @default.
- W2022798320 hasConceptScore W2022798320C32909587 @default.
- W2022798320 hasConceptScore W2022798320C41999313 @default.
- W2022798320 hasConceptScore W2022798320C62520636 @default.
- W2022798320 hasConceptScore W2022798320C65956243 @default.
- W2022798320 hasConceptScore W2022798320C84551667 @default.
- W2022798320 hasIssue "2" @default.
- W2022798320 hasLocation W20227983201 @default.
- W2022798320 hasOpenAccess W2022798320 @default.
- W2022798320 hasPrimaryLocation W20227983201 @default.
- W2022798320 hasRelatedWork W1985352506 @default.
- W2022798320 hasRelatedWork W1995968169 @default.
- W2022798320 hasRelatedWork W2000910854 @default.
- W2022798320 hasRelatedWork W2047633009 @default.
- W2022798320 hasRelatedWork W2048318899 @default.
- W2022798320 hasRelatedWork W2061171782 @default.
- W2022798320 hasRelatedWork W2063047461 @default.
- W2022798320 hasRelatedWork W2085394751 @default.
- W2022798320 hasRelatedWork W2326987753 @default.
- W2022798320 hasRelatedWork W4210779239 @default.
- W2022798320 hasVolume "16" @default.
- W2022798320 isParatext "false" @default.
- W2022798320 isRetracted "false" @default.
- W2022798320 magId "2022798320" @default.
- W2022798320 workType "article" @default.