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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Jan-2022/CH2OH_rotation_isomers/opt Cprime_ZLimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) LANL2DZ GENECP-3100.22629698; Eh
thumbnail.jpeg4-Jan-2022/CH2OH_rotation_isomers/opt Dprime_synLimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) LANL2DZ GENECP-3100.23191927; Eh
thumbnail.jpeg4-Jan-2022/CH2OH_rotation_isomers/opt Cprime_ELimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) LANL2DZ GENECP-3100.22833149; Eh
thumbnail.jpeg4-Jan-2022/CH2OH_rotation_isomers/opt Cdoubleprime_ELimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) LANL2DZ GENECP-3100.22949085; Eh
thumbnail.jpeg4-Jan-2022/CH2OH_rotation_isomers/opt Dprime_antiLimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) LANL2DZ GENECP-3100.23440869; Eh
thumbnail.jpeg4-Jan-2022/CH2OH_rotation_isomers/opt TS2prime_antiLimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) LANL2DZ GENECP-3100.21615799; Eh
thumbnail.jpeg4-Jan-2022/CH2OH_rotation_isomers/opt TS2doubleprime_antiLimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) LANL2DZ GENECP-3100.20379120; Eh
thumbnail.jpeg4-Jan-2022/CH2OH_rotation_isomers/opt TS2prime_synLimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) LANL2DZ GENECP-3100.21293299; Eh
thumbnail.jpeg4-Jan-2022/CH2OH_rotation_isomers/opt D_syn_to_Ddoubleprime_synLimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) LANL2DZ GENECP-3100.21327311; Eh
thumbnail.jpeg4-Jan-2022/CH2OH_rotation_isomers/opt TS2doubleprime_ZLimburg, BartGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) LANL2DZ GENECP-3100.21508525; Eh
Results 1-10 of 78 (Search time: 0.002 seconds).