Matches in SemOpenAlex for { <https://semopenalex.org/work/W2056996873> ?p ?o ?g. }
- W2056996873 endingPage "339" @default.
- W2056996873 startingPage "334" @default.
- W2056996873 abstract "A theoretical study at the B3LYP/6-311++G(d,p) level has been carried out on 2,2′-, 3,3′- and 4,4′-bipyridines, as well as on their monoprotonated and diprotonated forms. The geometries, torsion angles, and the energies of the minima and transition states have been calculated with good agreement with previous calculations and with most of the scarce available data. The absolute shieldings were calculated on these geometries using the GIAO approximation and transformed into chemical shifts using previously established relationships." @default.
- W2056996873 created "2016-06-24" @default.
- W2056996873 creator A5011482554 @default.
- W2056996873 creator A5015163312 @default.
- W2056996873 creator A5020738548 @default.
- W2056996873 date "2011-06-01" @default.
- W2056996873 modified "2023-09-25" @default.
- W2056996873 title "A theoretical study of the conformation, basicity and NMR properties of 2,2′-, 3,3′- and 4,4′-bipyridines and their conjugated acids" @default.
- W2056996873 cites W1963536769 @default.
- W2056996873 cites W1966137223 @default.
- W2056996873 cites W1966776068 @default.
- W2056996873 cites W1968037466 @default.
- W2056996873 cites W1970837937 @default.
- W2056996873 cites W1973592295 @default.
- W2056996873 cites W1978495748 @default.
- W2056996873 cites W1984369911 @default.
- W2056996873 cites W1985265869 @default.
- W2056996873 cites W1986003515 @default.
- W2056996873 cites W1986941006 @default.
- W2056996873 cites W1988274788 @default.
- W2056996873 cites W1991731738 @default.
- W2056996873 cites W1994909840 @default.
- W2056996873 cites W2004597998 @default.
- W2056996873 cites W2004805974 @default.
- W2056996873 cites W2006693744 @default.
- W2056996873 cites W2007886136 @default.
- W2056996873 cites W2010896511 @default.
- W2056996873 cites W2011252135 @default.
- W2056996873 cites W2023271753 @default.
- W2056996873 cites W2025515524 @default.
- W2056996873 cites W2027060437 @default.
- W2056996873 cites W2028801273 @default.
- W2056996873 cites W2030130718 @default.
- W2056996873 cites W2031876508 @default.
- W2056996873 cites W2036203356 @default.
- W2056996873 cites W2037521703 @default.
- W2056996873 cites W2041792275 @default.
- W2056996873 cites W2043193794 @default.
- W2056996873 cites W2045183976 @default.
- W2056996873 cites W2045214161 @default.
- W2056996873 cites W2048907031 @default.
- W2056996873 cites W2049996223 @default.
- W2056996873 cites W2053438392 @default.
- W2056996873 cites W2058363175 @default.
- W2056996873 cites W2060178414 @default.
- W2056996873 cites W2060979157 @default.
- W2056996873 cites W2064331476 @default.
- W2056996873 cites W2070144251 @default.
- W2056996873 cites W2070150721 @default.
- W2056996873 cites W2074053115 @default.
- W2056996873 cites W2075895742 @default.
- W2056996873 cites W2081626220 @default.
- W2056996873 cites W2086957099 @default.
- W2056996873 cites W2089992211 @default.
- W2056996873 cites W2091117452 @default.
- W2056996873 cites W2094642658 @default.
- W2056996873 cites W2103475740 @default.
- W2056996873 cites W2111601518 @default.
- W2056996873 cites W2124336312 @default.
- W2056996873 cites W2143981217 @default.
- W2056996873 cites W2156115804 @default.
- W2056996873 cites W2185041506 @default.
- W2056996873 cites W2949725023 @default.
- W2056996873 cites W2950480152 @default.
- W2056996873 cites W4211013120 @default.
- W2056996873 cites W4236841273 @default.
- W2056996873 cites W4256461247 @default.
- W2056996873 cites W1981042252 @default.
- W2056996873 doi "https://doi.org/10.1016/j.comptc.2011.03.034" @default.
- W2056996873 hasPublicationYear "2011" @default.
- W2056996873 type Work @default.
- W2056996873 sameAs 2056996873 @default.
- W2056996873 citedByCount "24" @default.
- W2056996873 countsByYear W20569968732012 @default.
- W2056996873 countsByYear W20569968732013 @default.
- W2056996873 countsByYear W20569968732014 @default.
- W2056996873 countsByYear W20569968732016 @default.
- W2056996873 countsByYear W20569968732017 @default.
- W2056996873 countsByYear W20569968732018 @default.
- W2056996873 countsByYear W20569968732019 @default.
- W2056996873 countsByYear W20569968732022 @default.
- W2056996873 crossrefType "journal-article" @default.
- W2056996873 hasAuthorship W2056996873A5011482554 @default.
- W2056996873 hasAuthorship W2056996873A5015163312 @default.
- W2056996873 hasAuthorship W2056996873A5020738548 @default.
- W2056996873 hasConcept C111429119 @default.
- W2056996873 hasConcept C112613896 @default.
- W2056996873 hasConcept C134306372 @default.
- W2056996873 hasConcept C141071460 @default.
- W2056996873 hasConcept C147597530 @default.
- W2056996873 hasConcept C147789679 @default.
- W2056996873 hasConcept C178790620 @default.
- W2056996873 hasConcept C185592680 @default.
- W2056996873 hasConcept C186633575 @default.
- W2056996873 hasConcept C33923547 @default.
- W2056996873 hasConcept C521977710 @default.
- W2056996873 hasConcept C71924100 @default.
- W2056996873 hasConcept C77461463 @default.