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Freeman, F., Gomarooni, F., Hehre, W.J. (2001) A computational study of conformers and rotamers of 3-substituted equatorial tetrahydro-2H-thiopyran-1-oxides (tetrahydrothiopyran-1-oxides, thiacyclohexane-1-oxides, thiane-1-oxides). Journal of Molecular Structure: THEOCHEM, 535. 287-299 doi:10.1016/s0166-1280(00)00596-0

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Reference TypeJournal (article/letter/editorial)
TitleA computational study of conformers and rotamers of 3-substituted equatorial tetrahydro-2H-thiopyran-1-oxides (tetrahydrothiopyran-1-oxides, thiacyclohexane-1-oxides, thiane-1-oxides)
JournalJournal of Molecular Structure: THEOCHEM
AuthorsFreeman, F.Author
Gomarooni, F.Author
Hehre, W.J.Author
Year2001 (January)Volume535
PublisherElsevier BV
DOIdoi:10.1016/s0166-1280(00)00596-0Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID8790808Long-form Identifiermindat:1:5:8790808:0
GUID0
Full ReferenceFreeman, F., Gomarooni, F., Hehre, W.J. (2001) A computational study of conformers and rotamers of 3-substituted equatorial tetrahydro-2H-thiopyran-1-oxides (tetrahydrothiopyran-1-oxides, thiacyclohexane-1-oxides, thiane-1-oxides). Journal of Molecular Structure: THEOCHEM, 535. 287-299 doi:10.1016/s0166-1280(00)00596-0
Plain TextFreeman, F., Gomarooni, F., Hehre, W.J. (2001) A computational study of conformers and rotamers of 3-substituted equatorial tetrahydro-2H-thiopyran-1-oxides (tetrahydrothiopyran-1-oxides, thiacyclohexane-1-oxides, thiane-1-oxides). Journal of Molecular Structure: THEOCHEM, 535. 287-299 doi:10.1016/s0166-1280(00)00596-0
In(n.d.) Journal of Molecular Structure: THEOCHEM Vol. 535. Elsevier BV

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Freeman, Fillmore, Nguyen, Tiffany, Hehre, Warren J. (2001) A computational study of 4-alkyl equatorial tetrahydro-2H-thiopyran-1-oxides (tetrahydrothiopyran-1-oxides, thiacyclohexane-1-oxides, thiane-1-oxides). Journal of Molecular Structure: THEOCHEM, 549. 203-216 doi:10.1016/s0166-1280(01)00499-7
Freeman, F., Kasner, M.L., Hehre, W.J. (2001) An ab initio molecular orbital theory study of the conformational free energies of 2-methyl-, 3-methyl-, and 4-methyltetrahydro-2H-pyran. Journal of Molecular Structure: THEOCHEM, 574. 19-26 doi:10.1016/s0166-1280(00)00757-0
Freeman, F., Kasner, M.L., Hehre, W.J. (1999) Ab initio molecular orbital study of the conformational energies of 3-alkyltetrahydro-2H-pyrans. Journal of Molecular Structure: THEOCHEM, 487. 87-105 doi:10.1016/s0166-1280(99)00143-8
Freeman, F, Hehre, W.J (2000) An ab initio molecular orbital theory and density functional theory study of the conformational free energies of methyltetrahydro-2H-thiopyrans. Journal of Molecular Structure: THEOCHEM, 529. 225-239 doi:10.1016/s0166-1280(00)00550-9
Freeman, F., Phornvoranunt, A., Hehre, W.J. (1999) An ab initio molecular orbital study of the conformational energies of 3-alkyltetrahydro-2H-thiopyrans (tetrahydrothiopyrans, thiacyclohexanes, thianes). Journal of Molecular Structure: THEOCHEM, 492. 225-239 doi:10.1016/s0166-1280(99)00168-2
Poole, James S. (2009) A computational study of the chemistry of substituted 3-nitrenopyridine 1-oxides. Journal of Molecular Structure: THEOCHEM, 894. 93-102 doi:10.1016/j.theochem.2008.10.002
Freeman, F., Po, H.N., Hehre, W.J. (2000) Molecular orbital calculations on the conformers of dihydrodioxins and of the conformational energies of 2-alkyl-4H-1,3-dioxins. Journal of Molecular Structure: THEOCHEM, 503. 145-163 doi:10.1016/s0166-1280(99)00260-2
Janoschek, Rudolf (1998) Bonding properties of chlorine oxides ClOx (x=1–4) in the density functional theory. Journal of Molecular Structure: THEOCHEM, 423. 219-224 doi:10.1016/s0166-1280(97)00145-0
Freeman, Fillmore, Do, Katie Uyen (2002) A computational study of conformers of 1,3-dioxane (1,3-dioxacyclohexane). Journal of Molecular Structure: THEOCHEM, 577. 43-54 doi:10.1016/s0166-1280(01)00603-0
Ramírez, Guillermo, Rubio, Manuel F. (1998) Mechanism of rearrangement of oxides of tertiary amines. Behavior of the molecular orbitals. Journal of Molecular Structure: THEOCHEM, 428. 131-141 doi:10.1016/s0166-1280(97)00269-8
Burk, P, Sillar, K, Koppel, I.A (2001) Gas-phase basicities and proton affinities of alkali metal oxides and hydroxides. A theoretical study. Journal of Molecular Structure: THEOCHEM, 543. 223-231 doi:10.1016/s0166-1280(01)00358-x
 
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