Browsing by Author Borowski, Tomasz

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Jan-20243_H2O_CH3CNBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3534.0741483; Eh
thumbnail.jpeg8-Jan-20243_H2O_CH3CN_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3684.4715635; Eh
thumbnail.jpeg8-Jan-20243_H2O_CH3CN_P1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3684.4637616; Eh
thumbnail.jpeg8-Jan-20243_H2O_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4312.8065266; Eh
thumbnail.jpeg8-Jan-20243_H2O_P1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4312.8004486; Eh
thumbnail.jpeg30-Oct-20173_NiBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg8-Jan-20243_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4236.3287045; Eh
thumbnail.jpeg8-Jan-20243_P1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4236.3146584; Eh
thumbnail.jpeg6-Nov-20173bis_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg6-Nov-20173prim_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg6-Nov-20174_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg6-Nov-20175_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg30-Oct-20175_NiBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--2797.99121877; Eh
thumbnail.jpeg20-Sep-20215bBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-1087.39792773; Eh
thumbnail.jpeg20-Sep-20215b_primeBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVP-1087.41939444; Eh
thumbnail.jpeg20-Sep-20215cBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDDEF2TZVP-
thumbnail.jpeg20-Sep-20216Borowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XDDEF2TZVP-935.855917266; Eh
thumbnail.jpeg6-Nov-20176_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg30-Oct-20176_NiBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg20-Sep-20216aBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1087.44020178; Eh