Geometry of OH⋯O interactions in the liquid state of linear alcohols from ab initio molecular dynamics simulations
2020 ◽
Vol 22
(12)
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pp. 6690-6697
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Keyword(s):
Hydrogen bonding OH···O geometries in the liquid state of linear alcohols, derived from ab initio MD simulations, show no change from methanol to pentanol, in contrast to that observed in their crystalline state.
2012 ◽
Vol 18
(18)
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pp. 5612-5619
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1999 ◽
Vol 11
(28)
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pp. 5387-5398
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2005 ◽
Vol 109
(42)
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pp. 9419-9423
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