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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1007.47755786; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ncsfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1535.48034559; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-459.964873029; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1084.30391053; Eh
thumbnail.jpeg9-Nov-2018/vacuum/metal_frag crh2o5b3lypBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-468.620351614; Eh
thumbnail.jpeg9-Nov-2018/vacuum/metal_frag cunh33b3lypBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-366.471193091; Eh
thumbnail.jpeg3-Oct-2019thf_onemetBbBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G(D,P) SDD GEN-3200.3852131; Eh
thumbnail.jpeg3-Oct-2019dmf_dosmet240bBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G(D,P) SDD GEN-3661.5065429; Eh
thumbnail.jpeg3-Oct-2019thf_dosmet240ph3freqBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G(D,P) SDD GEN-3425.5631103; Eh
thumbnail.jpeg3-Oct-2019gas_dosmet240Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G(D,P) SDD GEN-3661.4914595; Eh
Results 351-360 of 371 (Search time: 0.001 seconds).