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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019dmf_set_Brpdph3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3042.55126417; Eh
thumbnail.jpeg3-Oct-2019thf_set_Brpdph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3385.73105480; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpme3transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3160.55261342; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdpf32transBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3981.37122446; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdpme3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3160.54461040; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdpme3cisBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3160.51924887; Eh
thumbnail.jpeg3-Oct-2019gas_set_Brpdph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3385.71329797; Eh
thumbnail.jpeg3-Oct-2019dmf_set_Brpdph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-3385.73494298; Eh
thumbnail.jpeg3-Oct-2019dmf_pdpph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-2200.67606134; Eh
thumbnail.jpeg3-Oct-2019gas_sp2_add_pdph32_c_cis_B3LYPbBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-3617.34987439; Eh
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