1. Institute of Chemical Research of Catalonia

Browsing by Subject styrene oxide

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Showing results 1 to 8 of 8
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Apr-2021TS_ent_LL1_freqJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPDEF2SVP-11056.6675045; Eh
thumbnail.jpeg12-Apr-2021TS_entLL2_freqJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPDEF2SVP-11056.6823961; Eh
thumbnail.jpeg12-Apr-2021TS_LL1_freqJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPDEF2SVP-11056.6895516; Eh
thumbnail.jpeg12-Apr-2021TS_LL2_freqJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPDEF2SVP-11056.6848352; Eh
thumbnail.jpeg12-Apr-2021TS_RB1_freqJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPDEF2SVP-10672.0491569; Eh
thumbnail.jpeg12-Apr-2021TS_RL1_freqJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPDEF2SVP-10672.0531962; Eh
thumbnail.jpeg12-Apr-2021TS_SB1_freqJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPDEF2SVP-10672.0544300; Eh
thumbnail.jpeg12-Apr-2021TS_SL1_freqJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureUB3LYPDEF2SVP-10672.0470841; Eh
Showing results 1 to 8 of 8