1. Barcelona Supercomputing Center

Browsing by Author Guo, Wentao

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 671  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Oct-202410a-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-693.268034111; Eh
thumbnail.jpeg14-Oct-202410a-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-693.269482175; Eh
thumbnail.jpeg14-Oct-202410b-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-1062.30740230; Eh
thumbnail.jpeg14-Oct-202410b-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-1062.30807693; Eh
thumbnail.jpeg14-Oct-202410c-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-654.043722617; Eh
thumbnail.jpeg14-Oct-202410c-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-654.041799114; Eh
thumbnail.jpeg14-Oct-202411c-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-693.283230743; Eh
thumbnail.jpeg14-Oct-202411c-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-693.283985597; Eh
thumbnail.jpeg14-Oct-202412c-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-732.507878804; Eh
thumbnail.jpeg14-Oct-202412c-prime-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-732.508518219; Eh
thumbnail.jpeg14-Oct-202412c-prime-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-732.506157994; Eh
thumbnail.jpeg14-Oct-202412c-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVPP-732.511867301; Eh
thumbnail.jpeg12-Aug-2023/1s 1s_IM1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31G(D)-1497.26805864; Eh
thumbnail.jpeg12-Aug-2023/1s 1s_RGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31G(D)-1497.29145605; Eh
thumbnail.jpeg12-Aug-2023/1s 1s_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062X6-31G(D)-1497.26679336; Eh
thumbnail.jpeg12-Aug-2023/1s 1s_TS2_endoGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062X6-31G(D)-1497.25746651; Eh
thumbnail.jpeg12-Aug-2023/1s 1s_TS2_exoGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062X6-31G(D)-1497.25746654; Eh
thumbnail.jpeg12-Aug-2023/1s 2s_endoGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31G(D)-1497.29381643; Eh
thumbnail.jpeg12-Aug-2023/1s 2s_exoGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31G(D)-1497.33215070; Eh
thumbnail.jpeg12-Aug-2023/1t 1t_IM1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31G(D)-1615.14987665; Eh
Showing results 1 to 20 of 671  next >