Matches in SemOpenAlex for { <https://semopenalex.org/work/W2063020900> ?p ?o ?g. }
- W2063020900 endingPage "1665" @default.
- W2063020900 startingPage "1654" @default.
- W2063020900 abstract "Density functional calculations of a series of metaphosphates, acyclic and cyclic phosphates and phosphoranes relevant to RNA catalysis are presented. Solvent effects calculated with three well-established solvation models are analyzed and compared. The structure and stability of the compounds are characterized in terms of thermodynamic quantities for isomerization and ligand substitution reactions, gas-phase proton affinities, and microscopic solution pK(a)() values. The large dataset of compounds allows the estimation of bond energies to determine the relative strengths of axial and equatorial P-O phosphorane single bonds and P-O single and double bonds in metaphosphates and phosphates. The relative apicophilicty of hydroxyl and methoxy ligands in phosphoranes are characterized. The results presented here provide quantitative insight into RNA catalysis and serve as a first step toward the construction of a high-level quantum database for development of new semiempirical Hamiltonian models for biological reactions" @default.
- W2063020900 created "2016-06-24" @default.
- W2063020900 creator A5008571678 @default.
- W2063020900 creator A5038379755 @default.
- W2063020900 creator A5048384208 @default.
- W2063020900 creator A5076436548 @default.
- W2063020900 date "2004-01-24" @default.
- W2063020900 modified "2023-09-23" @default.
- W2063020900 title "The Structure and Stability of Biological Metaphosphate, Phosphate, and Phosphorane Compounds in the Gas Phase and in Solution" @default.
- W2063020900 cites W1963737263 @default.
- W2063020900 cites W1970720074 @default.
- W2063020900 cites W1978840198 @default.
- W2063020900 cites W1981872991 @default.
- W2063020900 cites W1982144407 @default.
- W2063020900 cites W1985017373 @default.
- W2063020900 cites W1985987075 @default.
- W2063020900 cites W2006668202 @default.
- W2063020900 cites W2008015300 @default.
- W2063020900 cites W2010979284 @default.
- W2063020900 cites W2011848674 @default.
- W2063020900 cites W2015293171 @default.
- W2063020900 cites W2015960673 @default.
- W2063020900 cites W2018929649 @default.
- W2063020900 cites W2020395674 @default.
- W2063020900 cites W2020593007 @default.
- W2063020900 cites W2021502908 @default.
- W2063020900 cites W2022273951 @default.
- W2063020900 cites W2026467865 @default.
- W2063020900 cites W2026559115 @default.
- W2063020900 cites W2027435496 @default.
- W2063020900 cites W2029867653 @default.
- W2063020900 cites W2030696383 @default.
- W2063020900 cites W2031131143 @default.
- W2063020900 cites W2031410972 @default.
- W2063020900 cites W2032453263 @default.
- W2063020900 cites W2038903837 @default.
- W2063020900 cites W2053869569 @default.
- W2063020900 cites W2058848030 @default.
- W2063020900 cites W2062745494 @default.
- W2063020900 cites W2065021335 @default.
- W2063020900 cites W2065756075 @default.
- W2063020900 cites W2067879969 @default.
- W2063020900 cites W2068599812 @default.
- W2063020900 cites W2075662564 @default.
- W2063020900 cites W2077541768 @default.
- W2063020900 cites W2083025571 @default.
- W2063020900 cites W2084851425 @default.
- W2063020900 cites W2086957099 @default.
- W2063020900 cites W2088655737 @default.
- W2063020900 cites W2088677737 @default.
- W2063020900 cites W2095474273 @default.
- W2063020900 cites W2138876112 @default.
- W2063020900 cites W2139132850 @default.
- W2063020900 cites W2139916893 @default.
- W2063020900 cites W2314118227 @default.
- W2063020900 cites W2327110389 @default.
- W2063020900 cites W2330384441 @default.
- W2063020900 cites W2949843106 @default.
- W2063020900 cites W2950635570 @default.
- W2063020900 cites W2951291033 @default.
- W2063020900 cites W2951552801 @default.
- W2063020900 cites W3004617795 @default.
- W2063020900 doi "https://doi.org/10.1021/ja0356277" @default.
- W2063020900 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/14871095" @default.
- W2063020900 hasPublicationYear "2004" @default.
- W2063020900 type Work @default.
- W2063020900 sameAs 2063020900 @default.
- W2063020900 citedByCount "94" @default.
- W2063020900 countsByYear W20630209002012 @default.
- W2063020900 countsByYear W20630209002013 @default.
- W2063020900 countsByYear W20630209002014 @default.
- W2063020900 countsByYear W20630209002015 @default.
- W2063020900 countsByYear W20630209002016 @default.
- W2063020900 countsByYear W20630209002017 @default.
- W2063020900 countsByYear W20630209002018 @default.
- W2063020900 countsByYear W20630209002019 @default.
- W2063020900 countsByYear W20630209002020 @default.
- W2063020900 countsByYear W20630209002021 @default.
- W2063020900 countsByYear W20630209002022 @default.
- W2063020900 countsByYear W20630209002023 @default.
- W2063020900 crossrefType "journal-article" @default.
- W2063020900 hasAuthorship W2063020900A5008571678 @default.
- W2063020900 hasAuthorship W2063020900A5038379755 @default.
- W2063020900 hasAuthorship W2063020900A5048384208 @default.
- W2063020900 hasAuthorship W2063020900A5076436548 @default.
- W2063020900 hasConcept C116569031 @default.
- W2063020900 hasConcept C126661725 @default.
- W2063020900 hasConcept C145148216 @default.
- W2063020900 hasConcept C147597530 @default.
- W2063020900 hasConcept C147789679 @default.
- W2063020900 hasConcept C148093993 @default.
- W2063020900 hasConcept C161790260 @default.
- W2063020900 hasConcept C170493617 @default.
- W2063020900 hasConcept C178790620 @default.
- W2063020900 hasConcept C185592680 @default.
- W2063020900 hasConcept C186399102 @default.
- W2063020900 hasConcept C20803032 @default.
- W2063020900 hasConcept C2776335861 @default.