1. UdG

Browsing by Subject fumitremorgin B endoperoxidase

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Showing results 21 to 40 of 51 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2019system_P_PMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3754.0308831; Eh
thumbnail.jpeg1-Oct-2019system_P_P-rotMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3754.0257705; Eh
thumbnail.jpeg1-Oct-2019system_P_S-O2Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4114922; Eh
thumbnail.jpeg1-Oct-2019system_P_S-oxoMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3754.0016016; Eh
thumbnail.jpeg1-Oct-2019system_P_S-oxo-rotMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3753.9945746; Eh
thumbnail.jpeg1-Oct-2019system_P_TS-1Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3753.991037; Eh
thumbnail.jpeg1-Oct-2019system_P_TS-1bMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3753.9862152; Eh
thumbnail.jpeg1-Oct-2019system_P_TS-2Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3753.9950622; Eh
thumbnail.jpeg1-Oct-2019system_P_TS-3Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4104132; Eh
thumbnail.jpeg1-Oct-2019system_P_TS-4Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4225257; Eh
thumbnail.jpeg1-Oct-2019system_P_TS-5aMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4113531; Eh
thumbnail.jpeg1-Oct-2019system_P_TS-5cMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4040473; Eh
thumbnail.jpeg1-Oct-2019system_P_TS-6aMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4096506; Eh
thumbnail.jpeg1-Oct-2019system_P_TS-rotMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3753.9798317; Eh
thumbnail.jpeg1-Oct-2019system_P_V-5a-radicalMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4289386; Eh
thumbnail.jpeg1-Oct-2019system_P_V-5c-radicalMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4171923; Eh
thumbnail.jpeg1-Oct-2019system_P_V-6a-radicalMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.427151; Eh
thumbnail.jpeg1-Oct-2019system_P_y224a_PMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3447.6294769; Eh
thumbnail.jpeg1-Oct-2019system_P_y224a_S-oxoMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3447.6026177; Eh
thumbnail.jpeg1-Oct-2019system_P_y224a_S-oxo-rotMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3447.6027899; Eh
Showing results 21 to 40 of 51 < previous   next >