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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Mar-2023TS4C4(T)Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2SVPP-2388.59706790; Eh
thumbnail.jpeg2-Mar-2023TS3C4(T)Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2SVPP-6125.06378338; Eh
thumbnail.jpeg2-Mar-2023/substituent_effect TS3C4_diOMe(T)Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2SVPP-6353.69699107; Eh
thumbnail.jpeg2-Mar-2023/substituent_effect TS3C4_OMe(T)Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVPP-6239.38299921; Eh
thumbnail.jpeg2-Mar-2023/substituent_effect TS3C4_OMe(S)Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVPP-6239.367556; Eh
thumbnail.jpeg2-Mar-2023IM4C4(T)Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2SVPP-2388.65672654; Eh
thumbnail.jpeg2-Mar-2023TS2C3(T)Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2SVPP-5896.38674281; Eh
thumbnail.jpeg2-Mar-2023TS2C3(S)Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVPP-5896.38624344; Eh
thumbnail.jpeg2-Mar-2023TS3C4(S)Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVPP-6125.06389632; Eh
thumbnail.jpeg2-Mar-2023TS3C4(Q)Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVPP-6125.03094527; Eh
Results 21-30 of 46 (Search time: 0.001 seconds).