Browsing by Author Miłaczewska, Anna

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2019system_B_TS-1cMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3753.9729202; Eh
thumbnail.jpeg1-Oct-2019system_B_TS-2cMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3753.9682069; Eh
thumbnail.jpeg1-Oct-2019system_P_F-O2Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4359805; Eh
thumbnail.jpeg1-Oct-2019system_P_F-O2-allylMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.435498; Eh
thumbnail.jpeg1-Oct-2019system_P_IMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3754.0248789; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_F-O2Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4344619; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_F-O2-allylMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4410251; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_PMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3754.0323569; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_S-O2Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4151674; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_TS-3Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4155143; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_TS-4Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.415279; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_TS-5bMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.416934; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_TS-5dMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4058222; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_TS-6bMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4114709; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_V-a-radicalMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4347581; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_V-b-radicalMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.4270089; Eh
thumbnail.jpeg1-Oct-2019system_P_isopentenyl_rotation_V-c-radicalMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3904.416695; Eh
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