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- W2070761548 abstract "A new predictive computational method for classifying clathrate hydrate promoter molecules is presented, based on the interaction energies between potential promoters and the water networks of sII and sH clathrates. The motivation for this work is identifying promoters for storing hydrogen compactly in clathrate hydrates. As a first step towards achieving this goal, we have developed a general method aimed at distinguishing between molecules that form sII clathrate hydrates and molecules that can—together with a weakly interacting help gas—form sH clathrate hydrates. The new computational method calculates differences in estimated formation energies of the sII and the sH clathrate hydrate. Model interaction potentials have been used, including the electrostatic interactions with newly calculated partial charges for all the considered potential promoter molecules. The methodology can discriminate between the clathrate structure types (sII or sH) formed by each potential promoter with good selectivity, i.e., better than achieved with a simple van der Waals diameter criterion." @default.
- W2070761548 created "2016-06-24" @default.
- W2070761548 creator A5037460225 @default.
- W2070761548 creator A5047258701 @default.
- W2070761548 date "2011-01-01" @default.
- W2070761548 modified "2023-10-17" @default.
- W2070761548 title "A new method for screening potential sII and sH hydrogen clathrate hydrate promoters with model potentials" @default.
- W2070761548 cites W1529656488 @default.
- W2070761548 cites W1570462462 @default.
- W2070761548 cites W1965936372 @default.
- W2070761548 cites W1966473542 @default.
- W2070761548 cites W1967055568 @default.
- W2070761548 cites W1967187452 @default.
- W2070761548 cites W1968690254 @default.
- W2070761548 cites W1975501285 @default.
- W2070761548 cites W1975702805 @default.
- W2070761548 cites W1976460392 @default.
- W2070761548 cites W1976900294 @default.
- W2070761548 cites W1978657327 @default.
- W2070761548 cites W1980432398 @default.
- W2070761548 cites W1987734443 @default.
- W2070761548 cites W1988750463 @default.
- W2070761548 cites W1997638028 @default.
- W2070761548 cites W1999283969 @default.
- W2070761548 cites W2000065890 @default.
- W2070761548 cites W2005266426 @default.
- W2070761548 cites W2006535287 @default.
- W2070761548 cites W2010478227 @default.
- W2070761548 cites W2010717452 @default.
- W2070761548 cites W2010744561 @default.
- W2070761548 cites W2011634765 @default.
- W2070761548 cites W2014017357 @default.
- W2070761548 cites W2014826342 @default.
- W2070761548 cites W2016062922 @default.
- W2070761548 cites W2018129079 @default.
- W2070761548 cites W2022227502 @default.
- W2070761548 cites W2025180876 @default.
- W2070761548 cites W2025603749 @default.
- W2070761548 cites W2026423508 @default.
- W2070761548 cites W2027389887 @default.
- W2070761548 cites W2028776686 @default.
- W2070761548 cites W2030841140 @default.
- W2070761548 cites W2033416159 @default.
- W2070761548 cites W2035266068 @default.
- W2070761548 cites W2037743440 @default.
- W2070761548 cites W2038527569 @default.
- W2070761548 cites W2041179664 @default.
- W2070761548 cites W2043192670 @default.
- W2070761548 cites W2044030113 @default.
- W2070761548 cites W2044039119 @default.
- W2070761548 cites W2047313723 @default.
- W2070761548 cites W2051071592 @default.
- W2070761548 cites W2053359500 @default.
- W2070761548 cites W2053700726 @default.
- W2070761548 cites W2060174224 @default.
- W2070761548 cites W2060977117 @default.
- W2070761548 cites W2061360722 @default.
- W2070761548 cites W2062113438 @default.
- W2070761548 cites W2064580940 @default.
- W2070761548 cites W2064620841 @default.
- W2070761548 cites W2069068682 @default.
- W2070761548 cites W2075415285 @default.
- W2070761548 cites W2076939671 @default.
- W2070761548 cites W2076942610 @default.
- W2070761548 cites W2077690903 @default.
- W2070761548 cites W2078410506 @default.
- W2070761548 cites W2079131510 @default.
- W2070761548 cites W2081926166 @default.
- W2070761548 cites W2083245413 @default.
- W2070761548 cites W2087323010 @default.
- W2070761548 cites W2087596773 @default.
- W2070761548 cites W2088782249 @default.
- W2070761548 cites W2092208525 @default.
- W2070761548 cites W2093810942 @default.
- W2070761548 cites W2094343907 @default.
- W2070761548 cites W2103342667 @default.
- W2070761548 cites W2122199548 @default.
- W2070761548 cites W2129734399 @default.
- W2070761548 cites W2132369654 @default.
- W2070761548 cites W2144568070 @default.
- W2070761548 cites W2147993766 @default.
- W2070761548 cites W2151334055 @default.
- W2070761548 cites W2155028878 @default.
- W2070761548 cites W2157314585 @default.
- W2070761548 cites W2167383445 @default.
- W2070761548 cites W2167897131 @default.
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- W2070761548 doi "https://doi.org/10.1039/c0cp02702b" @default.
- W2070761548 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21709922" @default.
- W2070761548 hasPublicationYear "2011" @default.
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