1. UdG

Browsing by Subject verruculogen synthase

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Showing results 41 to 51 of 51 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2019system_P_y224a_TS-1bMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3447.5897103; Eh
thumbnail.jpeg1-Oct-2019system_P_y224a_TS-rotMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3447.5872284; Eh
thumbnail.jpeg1-Oct-2019system_with_ascorbate_TS-aMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3538.0119238; Eh
thumbnail.jpeg1-Oct-2019system_with_ascorbate_TS-bMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3538.0002228; Eh
thumbnail.jpeg1-Oct-2019system_with_ascorbate_TS-cMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3537.9880703; Eh
thumbnail.jpeg1-Oct-2019system_with_ascorbate_V-aMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3538.0762533; Eh
thumbnail.jpeg1-Oct-2019system_with_ascorbate_V-a_radicalMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3538.02797; Eh
thumbnail.jpeg1-Oct-2019system_with_ascorbate_V-bMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3538.059158; Eh
thumbnail.jpeg1-Oct-2019system_with_ascorbate_V-b_radicalMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3538.0233184; Eh
thumbnail.jpeg1-Oct-2019system_with_ascorbate_V-cMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3538.0519714; Eh
thumbnail.jpeg1-Oct-2019system_with_ascorbate_V-c_radicalMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3538.0068222; Eh
Showing results 41 to 51 of 51 < previous