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Showing results 265323 to 265342 of 318841 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021myclobutanil_CONF39_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3465114; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF39_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1261.08530389; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF3_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3491013; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF3_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1261.08695481; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF3_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3750933; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF3_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1261.11196433; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF3_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3684141; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF3_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1261.10335497; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF40_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3741355; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF40_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1261.11121276; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF40_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3686983; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF40_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1261.10356563; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF41_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.345503; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF41_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1261.08466853; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF46_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1261.08399045; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF49_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3468185; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF49_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1261.08324130; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF4_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3476307; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF4_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1261.08622121; Eh
thumbnail.jpeg21-Dec-2021myclobutanil_CONF4_octanolPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3754449; Eh
Showing results 265323 to 265342 of 318841 < previous   next >