Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Joakim S. Jestilä"'
Publikováno v:
Organic & Biomolecular Chemistry. 18:9499-9510
In this paper, we present an investigation of the unimolecular dissociation of an anionic magnesium chloride squarate complex, ClMgC4O4- using mass spectrometry supported by theoretical reaction models based on quantum chemical calculations. Sequenti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0530fc38b8b23d518855a82458e6f15e
https://doi.org/10.1039/d0ob01994a
https://doi.org/10.1039/d0ob01994a
Autor:
Evan Perez, Einar Uggerud, Joakim S. Jestilä, Thien Khuu, Sotiris S. Xantheas, Edoardo Aprà, Mark A. Johnson, Joanna K. Denton
Publikováno v:
Physical Chemistry Chemical Physics. 22:7460-7473
The reduction of carbon dioxide to oxalate has been studied by experimental Collisionally Induced Dissociation (CID) and vibrational characterization of the alkali metal oxalates, supplemented by theoretical electronic structure calculations. The cri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6a9155230bd1c314919909c2aec887cd
https://doi.org/10.1039/d0cp00547a
https://doi.org/10.1039/d0cp00547a
Autor:
Joakim S. Jestilä, Einar Uggerud
Publikováno v:
The Journal of Organic Chemistry. 84:14005-14014
The unimolecular dissociation of hydrogen squarate and the squarate radical anion has been studied by electrospray ionization mass spectrometry (including collisionally induced dissociation) and quantum chemical calculations, providing consistent rea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::023e132e22d7f755835e063c2a1e99ba
https://doi.org/10.1021/acs.joc.9b02185
https://doi.org/10.1021/acs.joc.9b02185
Autor:
Joakim S. Jestilä, Einar Uggerud
We present a computational survey of the reduction of CO2 to CO by alkali metal and alkaline earth metal chloride anions in the gas phase, uncovering also mechanistic aspects on the selective tuning between oxalate and carbonate products relevant to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0608817279fdebb17291cb39a319598d
http://hdl.handle.net/10852/92551
http://hdl.handle.net/10852/92551
Publikováno v:
Organicbiomolecular chemistry. 18(46)
In this paper, we present an investigation of the unimolecular dissociation of an anionic magnesium chloride squarate complex, ClMgC4O4- using mass spectrometry supported by theoretical reaction models based on quantum chemical calculations. Sequenti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0534dc6e0fc9e2cb49c592cae5227e25
https://pubmed.ncbi.nlm.nih.gov/33185229
https://pubmed.ncbi.nlm.nih.gov/33185229
Autor:
Joakim S, Jestilä, Joanna K, Denton, Evan H, Perez, Thien, Khuu, Edoardo, Aprà, Sotiris S, Xantheas, Mark A, Johnson, Einar, Uggerud
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(14)
The reduction of carbon dioxide to oxalate has been studied by experimental Collisionally Induced Dissociation (CID) and vibrational characterization of the alkali metal oxalates, supplemented by theoretical electronic structure calculations. The cri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::b2afb7a9627b8f5167fb0dd590a11f98
https://pubmed.ncbi.nlm.nih.gov/32219243
https://pubmed.ncbi.nlm.nih.gov/32219243
Autor:
Einar Uggerud, Joakim S. Jestilä
Publikováno v:
European Journal of Mass Spectrometry. 24:33-42
Electrospray ionization of mixtures of succinic acid (here denoted H2Su) and magnesium chloride in water/methanol give rise to ions of the type ESu- (E = H or ClMg). The unimolecular dissociation of these ions was studied by collisionally induced dis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::49d6ca49ad0e63bc2213d8e8171eb92f
https://doi.org/10.1177/1469066717729904
https://doi.org/10.1177/1469066717729904
Autor:
Joakim S, Jestilä, Einar, Uggerud
Publikováno v:
The Journal of organic chemistry. 84(21)
The unimolecular dissociation of hydrogen squarate and the squarate radical anion has been studied by electrospray ionization mass spectrometry (including collisionally induced dissociation) and quantum chemical calculations, providing consistent rea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::d0a75a33d53d4fde50aed4d609cb4a3a
https://pubmed.ncbi.nlm.nih.gov/31594310
https://pubmed.ncbi.nlm.nih.gov/31594310
Autor:
Joakim S, Jestilä, Einar, Uggerud
Publikováno v:
European journal of mass spectrometry (Chichester, England). 24(1)
Electrospray ionization of mixtures of succinic acid (here denoted H
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::d84ca9b932410eed77b1fb2be33912ab
https://pubmed.ncbi.nlm.nih.gov/29233005
https://pubmed.ncbi.nlm.nih.gov/29233005