Zobrazeno 1 - 10 of 12 pro vyhledávání: '"Reijo Kimmelma"'
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Structure-stability relationships in unsaturated sulfur compounds VI. An ab initio study of the stable conformations of (E)- and (Z)-2-methylthio-, methylsulfinyl- and methylsulfonyl-2-butenes
Autor: Reijo Kimmelma, Matti Hotokka
Publikováno v: Journal of Molecular Structure: THEOCHEM. 418:189-196
The potential energy curves for the CS torsion of (E)- and (Z)-2-methylthio-, methylsulfinyl- and methylsulfonyl-2-butenes were calculated using ab initio methods (RHF/3-21G∗ and 6–31G∗). Each molecule had two energy minima symmetrically (ca
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::050239bbf0d4cd7b08f903d2f6b745f1
https://doi.org/10.1016/s0166-1280(96)05024-5
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4
Structure—stability relationships in unsaturated sulfur compounds Part V. An ab initio study of the stable conformations of (E)- and (Z)-methyl-l-propenyl sulfide, sulfoxide and sulfone
Autor: Matti Hotokka, Reijo Kimmelma
Publikováno v: Journal of Molecular Structure: THEOCHEM. 313:313-320
The potential energy curves for the C—S torsion of (E)-and (Z)-methyl-l-propenyl sulfide, sulfoxide and sulfone were calculated using ab initio methods with the 3–21G∗ adn 6–31G∗ basis sets. Each molecule was found to have two energy minima
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9f019271b73a7bdd2276faffc3cc0811
https://doi.org/10.1016/0166-1280(94)85013-5
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5
Structure-stability relationships in unsaturated sulfur compounds
Autor: Reijo Kimmelma, Matti Hotokka
Publikováno v: Journal of Molecular Structure: THEOCHEM. 285:71-75
The potential energy maps for both C-S torsions of divinyl sulfide, sulfoxide and sulfone were calculated by using the gamess ab initio program and the 3-21G∗ basis set. In each case two minima were found. In the stable conformations of divinyl sul
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a0863f536a962f8095e13329e20fe4ab
https://doi.org/10.1016/0166-1280(93)87020-e
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8
A study of the stable conformations of methylvinyl sulfoxide and sulfone by ab initio calculations
Autor: Reijo Kimmelma, Matti Hotokka
Publikováno v: Journal of Molecular Structure: THEOCHEM. 276:167-173
The potential energy curves for the C-S torsion of methylvinyl sulfoxide and sulfone were calculated using ab initio methods (RHF/3-21G∗ and MP2/6-31G∗). In both cases two minima were found. In the case of methylvinyl sulfoxide the most stable co
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::29fb8a0b4370c25b246fba45efde7d63
https://doi.org/10.1016/0166-1280(92)80031-g
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