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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Feb-2022triforine_RS_CONF20_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-3520.6387888; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF178_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8468132; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF158_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8469485; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF160_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8465013; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF181_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8468129; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF182_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.846813; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF169_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8465009; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF177_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8468132; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF159_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.846501; Eh
thumbnail.jpeg10-Feb-2022oxpoconazole_CONF184_waterPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1513.8468131; Eh
Results 9141-9150 of 12323 (Search time: 0.028 seconds).