Matches in SemOpenAlex for { <https://semopenalex.org/work/W1995901124> ?p ?o ?g. }
- W1995901124 abstract "Putative global minima are reported for methanol clusters (CH3OH)n with n ⩽ 15. The predictions are based on global optimization of three intermolecular potential energy models followed by local optimization and single-point energy calculations using two variants of dispersion-corrected density functional theory. Recurring structural motifs include folded and/or twisted rings, folded rings with a short branch, and stacked rings. Many of the larger structures are stabilized by weak C–H⋯O bonds." @default.
- W1995901124 created "2016-06-24" @default.
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- W1995901124 date "2013-06-11" @default.
- W1995901124 modified "2023-10-16" @default.
- W1995901124 title "Methanol clusters (CH3OH)<i>n</i>: Putative global minimum-energy structures from model potentials and dispersion-corrected density functional theory" @default.
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- W1995901124 doi "https://doi.org/10.1063/1.4809528" @default.
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