1. UdG

Browsing by Subject Terpenoids

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 17 of 17
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Mar-2025I1Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-4939.10214157; Eh
thumbnail.jpeg14-Mar-2025I2aLledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-4939.08894891; Eh
thumbnail.jpeg14-Mar-2025I2bLledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-4939.09933213; Eh
thumbnail.jpeg14-Mar-2025I2cLledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-4939.09988483; Eh
thumbnail.jpeg14-Mar-2025I3Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-4939.13685731; Eh
thumbnail.jpeg14-Mar-2025I4Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-4939.13907253; Eh
thumbnail.jpeg14-Mar-2025I5Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-4939.13275363; Eh
thumbnail.jpeg14-Mar-2025I6Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-4939.12698955; Eh
thumbnail.jpeg14-Mar-2025NOHLledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-927.492286335; Eh
thumbnail.jpeg14-Mar-2025NOHCAVLledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-4478.38533462; Eh
thumbnail.jpeg14-Mar-2025TCLledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-927.472914788; Eh
thumbnail.jpeg14-Mar-2025TS1Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP-4939.07683631; Eh
thumbnail.jpeg14-Mar-2025TS2Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP-4939.09932384; Eh
thumbnail.jpeg14-Mar-2025TS3Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP-4939.09807339; Eh
thumbnail.jpeg14-Mar-2025TS4Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP-4939.11069085; Eh
thumbnail.jpeg14-Mar-2025TS5Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP-4939.09315800; Eh
thumbnail.jpeg14-Mar-2025TS6Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPDEF2SVP-927.455712503; Eh
Showing results 1 to 17 of 17