1. UdG

Browsing by Subject fumitremorgin B endoperoxidase

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1 to 20 of 51  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2019system_B_IMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3754.0090777; Eh
thumbnail.jpeg1-Oct-2019system_B_PMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3754.0142676; Eh
thumbnail.jpeg1-Oct-2019system_B_S-oxoMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--3753.9976285; Eh
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
Showing results 1 to 20 of 51  next >