Výsledky vyhledávání - "Nils-Åke Bergman"

Concerted synchronous two-hydron transfer within the formic acid dimer. A kinetic isotope effect study using ab initio calculations

Autor: Per Ahlberg, Peder Svensson, Nils-Åke Bergman

Publikováno v: Journal of the Chemical Society, Chemical Communications. :862

Calculated isotope effects on the two-hydron transfer within the formic acid dimer calculated at different levels of theory including perturbational electron correlation correction (MP2) together with normal mode analysis form a basis for the interpr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::09efdfaa04ca9cc0daf9ad44f5202d6c
https://doi.org/10.1039/c39900000862

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Stepwise two-proton transfer within the formamidine dimer. A theoretical study using Ab initio calculations

Autor: Nils-Åke Bergman, Per Ahlberg, Peder Svensson

Publikováno v: Journal of the Chemical Society, Chemical Communications. :82

Ab initio calculations at the VDZ and VDZ + P levels of theory of the two-proton transfer reaction within an isolated formamidine dimer give transition states with low symmetry, and with 6-31G* basis sets indicate stepwise two-proton transfers even i

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::916a7be40f64234c4ed370984f9ef739
https://doi.org/10.1039/c39900000082

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Isotope Effects in Proton-transfer Reactions. V. Deuterium Solvent Isotope Effect on the Racemization of (+)-2-Methyl-3-phenylpropionitrile in Methanol

Autor: Nils-Åke Bergman, P. S. Frederichsen, K. F. Nakken, Lars Melander

Publikováno v: Acta Chemica Scandinavica. :747-752

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6e94a04705a73c6e408ba2f7d7607e38
https://doi.org/10.3891/acta.chem.scand.28a-0747

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Some MNDO SCF-MO Computations on Proton-transfer Systems

Autor: Lars Melander, Ulf Wahlgren, Nils-Åke Bergman, Bo Anhede, C. Ian F. Watt

Publikováno v: Acta Chemica Scandinavica. :843-851

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8e979408552b0b3e9f835218215f1e77
https://doi.org/10.3891/acta.chem.scand.37a-0843

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Isotope Effects in Proton-transfer Reactions. VIII. Isotope Effects in the Proton-transfer from (--)-Menthone to Methoxide Ion in Methanol and Methanol--Dimethyl Sulfoxide Solutions

Autor: Ragnhild Seip, Bo Anhede, Lars Baltzer, Jan Almlöf, Eivind Kvåle, Nils-Åke Bergman, Birgitte E. R. Schilling, Sven J. Cyvin, Knut Faegri, Hans Peter Lüthi, Kjell Taugbøl

Publikováno v: Acta Chemica Scandinavica. :39-45

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fabd4801600fcea355a4efc11bdc5caf
https://doi.org/10.3891/acta.chem.scand.36a-0039

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Solvent Effects on the Racemization of Optically Active Biphenyl Derivatives

Autor: Liv Fernholt, Grete Gundersen, Nils-Åke Bergman, Lars Baltzer, Bjørg N. Cyvin, Anders Wahlberg, Claus J. Nielsen, Otto Bastiansen, Geir Braathen, Per Jennische, Sven J. Cyvin

Publikováno v: Acta Chemica Scandinavica. :31-38

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::232aa5cf89d7693d35414e71336187d2
https://doi.org/10.3891/acta.chem.scand.36a-0031

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Chemical Reactions of Omeprazole and Omeprazole Analogues. II. Kinetics of the Reaction of Omeprazole in the Presence of 2-Mercaptoethanol

Autor: Arne Brändström, Nils-Åke Bergman, Per Lindberg, Inger Grundevik, Svante Johansson, Lija Tekenbergs-Hjelte, Kristina Ohlson, Tomas Alminger, Magnus Erickson, Inger Hagin, Kurt-Jürgen Hoffman, Sam Larsson, Ingalil Löfberg, Björn Persson, Inger Skånberg

Publikováno v: Acta Chemica Scandinavica. 43:549-568

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ca0b066dab8effb3013a31b1c570cd66
https://doi.org/10.3891/acta.chem.scand.43-0549

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Chemical Reactions of Omeprazole and Omeprazole Analogues. V. The Reaction of N-Alkylated Derivatives of Omeprazole Analogues with 2-Mercaptoethanol

Autor: Arne Brändström, Per Lindberg, Nils-Åke Bergman, Lija Tekenbergs-Hjelte, Kristina Ohlson, Inger Grundevik, Peter Nordberg, Tomas Alminger, Magnus Erickson, Inger Hagin, Kurt-Jürgen Hoffman, Svante Johansson, Sam Larsson, Ingalil Löfberg, Björn Persson, Inger Skånberg

Publikováno v: Acta Chemica Scandinavica. 43:587-594

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::569ae64c281d914ecd215fb3d848cb07
https://doi.org/10.3891/acta.chem.scand.43-0587

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Isotope Effects in Proton-transfer Reactions. VI. Base-catalyzed Racemization of 2-Phenylpropionitrile in Dimethyl Sulfoxide-Methanol Solutions

Autor: Nils-Åke Bergman, Inger Källson, Kari Neuvonen, Raimo Keskinen, M. Sandström

Publikováno v: Acta Chemica Scandinavica. :411-417

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::89ef3c0a2fb4ef6db467843c381185cd
https://doi.org/10.3891/acta.chem.scand.30a-0411

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An MNDO SCF-MO study of proton transfer from fluoroethanols

Autor: Bo Anhede, A. Jerry Kresge, Nils-Åke Bergman

Publikováno v: Canadian Journal of Chemistry. 64:1173-1178

Proton exchange between β-fluorinated ethanols and ethoxide ions has been studied using the MNDO SCF-MO method. Calculations were performed on reactions of ethoxide ion with ethanols substituted in the β-position with 0, 1, 2, and 3 fluorine atoms

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::882afc89b558c674c240a6755fa2bd83
https://doi.org/10.1139/v86-194

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