Matches in SemOpenAlex for { <https://semopenalex.org/work/W2009693909> ?p ?o ?g. }
- W2009693909 endingPage "11361" @default.
- W2009693909 startingPage "11361" @default.
- W2009693909 abstract "The formation mechanism is always a fundamental and confused issue for polyoxometalate chemistry. Two formation mechanisms (M1 and M2) of the Lindqvist anion [W(6)O(19)](2-) have been adopted to investigate it's self-assembly reaction pathways at a density functional theory (DFT) level. The potential energy surfaces reveal that both the mechanisms are thermodynamically favorable and overall barrierless at room temperature, but M2 is slightly dominant to M1. The formation of the pentanuclear species [W(5)O(16)](2-) and [W(5)O(15)(OH)](-) are recognized as the rate-determining steps in the whole assembly polymerization processes. These two steps involve the highest energy barriers with 30.48 kcal mol(-1) and 28.90 kcal mol(-1), respectively, for M1 and M2. [W(4)O(13)](2-) and [W(4)O(12)(OH)](-) are proved to be the most stable building blocks. In addition, DFT results reveal that the formation of [W(3)O(10)](2-) experiences a lower barrier along the chain channel." @default.
- W2009693909 created "2016-06-24" @default.
- W2009693909 creator A5012137971 @default.
- W2009693909 creator A5018135601 @default.
- W2009693909 creator A5049368936 @default.
- W2009693909 creator A5054852294 @default.
- W2009693909 creator A5061950139 @default.
- W2009693909 creator A5087707184 @default.
- W2009693909 date "2012-01-01" @default.
- W2009693909 modified "2023-09-30" @default.
- W2009693909 title "The self-assembly mechanism of the Lindqvist anion [W6O19]2− in aqueous solution: a density functional theory study" @default.
- W2009693909 cites W1557558045 @default.
- W2009693909 cites W1571227427 @default.
- W2009693909 cites W1579461315 @default.
- W2009693909 cites W1964514140 @default.
- W2009693909 cites W1964703597 @default.
- W2009693909 cites W1969563478 @default.
- W2009693909 cites W1974319026 @default.
- W2009693909 cites W1974358015 @default.
- W2009693909 cites W1975417226 @default.
- W2009693909 cites W1979827507 @default.
- W2009693909 cites W1981353016 @default.
- W2009693909 cites W1984596492 @default.
- W2009693909 cites W1988291864 @default.
- W2009693909 cites W1990412546 @default.
- W2009693909 cites W1997151511 @default.
- W2009693909 cites W1997235459 @default.
- W2009693909 cites W2001422866 @default.
- W2009693909 cites W2001424846 @default.
- W2009693909 cites W2004250669 @default.
- W2009693909 cites W2004317499 @default.
- W2009693909 cites W2007773813 @default.
- W2009693909 cites W2011372969 @default.
- W2009693909 cites W2013015408 @default.
- W2009693909 cites W2015288243 @default.
- W2009693909 cites W2017196167 @default.
- W2009693909 cites W2017387213 @default.
- W2009693909 cites W2018917728 @default.
- W2009693909 cites W2020947916 @default.
- W2009693909 cites W2023185333 @default.
- W2009693909 cites W2023271753 @default.
- W2009693909 cites W2027045511 @default.
- W2009693909 cites W2028324262 @default.
- W2009693909 cites W2029862177 @default.
- W2009693909 cites W2033990154 @default.
- W2009693909 cites W2034400780 @default.
- W2009693909 cites W2034766094 @default.
- W2009693909 cites W2035114847 @default.
- W2009693909 cites W2035127456 @default.
- W2009693909 cites W2035884065 @default.
- W2009693909 cites W2038517618 @default.
- W2009693909 cites W2041777132 @default.
- W2009693909 cites W2042362062 @default.
- W2009693909 cites W2044591029 @default.
- W2009693909 cites W2045842382 @default.
- W2009693909 cites W2047556547 @default.
- W2009693909 cites W2049079467 @default.
- W2009693909 cites W2049111601 @default.
- W2009693909 cites W2050480585 @default.
- W2009693909 cites W2052573265 @default.
- W2009693909 cites W2052817637 @default.
- W2009693909 cites W2052894492 @default.
- W2009693909 cites W2057272636 @default.
- W2009693909 cites W2062489235 @default.
- W2009693909 cites W2064394943 @default.
- W2009693909 cites W2068513777 @default.
- W2009693909 cites W2068617439 @default.
- W2009693909 cites W2081948781 @default.
- W2009693909 cites W2087418250 @default.
- W2009693909 cites W2091654157 @default.
- W2009693909 cites W2094642658 @default.
- W2009693909 cites W2101713007 @default.
- W2009693909 cites W2112850441 @default.
- W2009693909 cites W2113737025 @default.
- W2009693909 cites W2120289967 @default.
- W2009693909 cites W2125881738 @default.
- W2009693909 cites W2139733952 @default.
- W2009693909 cites W2143981217 @default.
- W2009693909 cites W2153136870 @default.
- W2009693909 cites W2164545867 @default.
- W2009693909 cites W2336043143 @default.
- W2009693909 cites W2950851469 @default.
- W2009693909 cites W2953154151 @default.
- W2009693909 cites W4211229213 @default.
- W2009693909 doi "https://doi.org/10.1039/c2dt31166f" @default.
- W2009693909 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22886001" @default.
- W2009693909 hasPublicationYear "2012" @default.
- W2009693909 type Work @default.
- W2009693909 sameAs 2009693909 @default.
- W2009693909 citedByCount "14" @default.
- W2009693909 countsByYear W20096939092013 @default.
- W2009693909 countsByYear W20096939092014 @default.
- W2009693909 countsByYear W20096939092015 @default.
- W2009693909 countsByYear W20096939092016 @default.
- W2009693909 countsByYear W20096939092017 @default.
- W2009693909 countsByYear W20096939092018 @default.
- W2009693909 countsByYear W20096939092019 @default.
- W2009693909 countsByYear W20096939092020 @default.