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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2spdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-870.504849225; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1670.79595962; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-614.015387054; Eh
thumbnail.jpeg9-Nov-2018/vacuum/ligands nme3b3lypBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-174.485432500; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes smeaucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-666.878252778; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1899.39357092; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenocucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-843.240396912; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ofecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1120.55404770; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-105.058620726; Eh
thumbnail.jpeg8-Nov-2018/vacuum/complexes sih3-kBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-319.599511211; Eh
Results 21-30 of 666 (Search time: 0.001 seconds).