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- W2013327143 abstract "Abstract The conformational analysis of cycloheptane (1), oxacycloheptane (2), 1,2‐dioxacycloheptane (3), 1,3‐dioxacycloheptane (4), and 1,4‐dioxacycloheptane (5) has been carried out using B3LYP, CCD, CCSD, and QCISD with the 6‐311+G(d,p) and cc‐pVDZ basis sets. The twist chair conformers are predicted to be lower in energy than their corresponding boat and chair conformations. All levels of theory predict (4) to be lower in energy than (3) and (5). CCSD predicts remarkably similar activation barriers for the conformational interconversion of the twist chair conformers to their corresponding boat conformers. Small barriers to pseudorotation are also predicted. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008" @default.
- W2013327143 created "2016-06-24" @default.
- W2013327143 creator A5020847014 @default.
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- W2013327143 creator A5058100363 @default.
- W2013327143 creator A5064329032 @default.
- W2013327143 creator A5090088458 @default.
- W2013327143 date "2007-08-23" @default.
- W2013327143 modified "2023-10-16" @default.
- W2013327143 title "Conformational analysis of cycloheptane, oxacycloheptane, 1,2-dioxacycloheptane, 1,3-dioxacycloheptane, and 1,4-dioxacycloheptane" @default.
- W2013327143 cites W1965960141 @default.
- W2013327143 cites W1969226841 @default.
- W2013327143 cites W1971275758 @default.
- W2013327143 cites W1971527456 @default.
- W2013327143 cites W1971661284 @default.
- W2013327143 cites W1975708211 @default.
- W2013327143 cites W1975755749 @default.
- W2013327143 cites W1977387864 @default.
- W2013327143 cites W1978059642 @default.
- W2013327143 cites W1978270430 @default.
- W2013327143 cites W1979145652 @default.
- W2013327143 cites W1979572649 @default.
- W2013327143 cites W1982034480 @default.
- W2013327143 cites W1982497888 @default.
- W2013327143 cites W1990518549 @default.
- W2013327143 cites W1998206772 @default.
- W2013327143 cites W1998556991 @default.
- W2013327143 cites W1998721039 @default.
- W2013327143 cites W2000422035 @default.
- W2013327143 cites W2000943531 @default.
- W2013327143 cites W2003183213 @default.
- W2013327143 cites W2006863944 @default.
- W2013327143 cites W2011984173 @default.
- W2013327143 cites W2012458244 @default.
- W2013327143 cites W2014767176 @default.
- W2013327143 cites W2019813412 @default.
- W2013327143 cites W2022433641 @default.
- W2013327143 cites W2023271753 @default.
- W2013327143 cites W2024407718 @default.
- W2013327143 cites W2026513378 @default.
- W2013327143 cites W2027646841 @default.
- W2013327143 cites W2028462745 @default.
- W2013327143 cites W2031856796 @default.
- W2013327143 cites W2032724209 @default.
- W2013327143 cites W2033990154 @default.
- W2013327143 cites W2034815131 @default.
- W2013327143 cites W2038533471 @default.
- W2013327143 cites W2039312983 @default.
- W2013327143 cites W2039593178 @default.
- W2013327143 cites W2040064161 @default.
- W2013327143 cites W2046187914 @default.
- W2013327143 cites W2046894619 @default.
- W2013327143 cites W2048627888 @default.
- W2013327143 cites W2049867331 @default.
- W2013327143 cites W2051976898 @default.
- W2013327143 cites W2054754121 @default.
- W2013327143 cites W2057703855 @default.
- W2013327143 cites W2058363175 @default.
- W2013327143 cites W2062606596 @default.
- W2013327143 cites W2066103357 @default.
- W2013327143 cites W2069006374 @default.
- W2013327143 cites W2069913816 @default.
- W2013327143 cites W2069986303 @default.
- W2013327143 cites W2071035985 @default.
- W2013327143 cites W2071137944 @default.
- W2013327143 cites W2071583099 @default.
- W2013327143 cites W2075405808 @default.
- W2013327143 cites W2075662351 @default.
- W2013327143 cites W2078328291 @default.
- W2013327143 cites W2079458939 @default.
- W2013327143 cites W2080618037 @default.
- W2013327143 cites W2081595527 @default.
- W2013327143 cites W2086957099 @default.
- W2013327143 cites W2089371831 @default.
- W2013327143 cites W2095082996 @default.
- W2013327143 cites W2100030276 @default.
- W2013327143 cites W2103748600 @default.
- W2013327143 cites W2117181963 @default.
- W2013327143 cites W2134427214 @default.
- W2013327143 cites W2144927680 @default.
- W2013327143 cites W2148284063 @default.
- W2013327143 cites W2152278650 @default.
- W2013327143 cites W2172169578 @default.
- W2013327143 cites W2175274244 @default.
- W2013327143 cites W2322579997 @default.
- W2013327143 cites W2333907856 @default.
- W2013327143 cites W2399658236 @default.
- W2013327143 cites W289446737 @default.
- W2013327143 cites W2949934562 @default.
- W2013327143 cites W2952604719 @default.
- W2013327143 cites W2952788025 @default.
- W2013327143 cites W2953083391 @default.
- W2013327143 cites W4240035468 @default.
- W2013327143 cites W4242135279 @default.
- W2013327143 cites W1992661899 @default.
- W2013327143 doi "https://doi.org/10.1002/qua.21486" @default.
- W2013327143 hasPublicationYear "2007" @default.