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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes haucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1517.14094238; Eh
thumbnail.jpeg27-Jun-2023SP_E-A4bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1671.2481875; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinnipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2348.09197272; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-768.116558330; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilzncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1839.59520362; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2zrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-393.576251177; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2osnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-199.326901859; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-463.738538576; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2oincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-998.549295762; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-614.015387054; Eh
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