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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeganilazine_CONF1_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1945.8888701; Eh
thumbnail.jpeganilazine_CONF2_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1945.8844744; Eh
thumbnail.jpeganilazine_CONF1_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1945.9069369; Eh
thumbnail.jpeganilazine_CONF2_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1945.9065631; Eh
thumbnail.jpeganilazine_CONF1_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1945.899627; Eh
thumbnail.jpeganilazine_CONF2_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1945.9009083; Eh
thumbnail.jpegcaptafol_cis_CONF1_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0382395; Eh
thumbnail.jpegcaptafol_cis_CONF10_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0365557; Eh
thumbnail.jpegcaptafol_cis_CONF15_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0365559; Eh
thumbnail.jpegcaptafol_cis_CONF2_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0391885; Eh
thumbnail.jpegcaptafol_cis_CONF5_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0382403; Eh
thumbnail.jpegcaptafol_cis_CONF1_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0612801; Eh
thumbnail.jpegcaptafol_cis_CONF15_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0598388; Eh
thumbnail.jpegcaptafol_cis_CONF2_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0593186; Eh
thumbnail.jpegcaptafol_cis_CONF6_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0602724; Eh
thumbnail.jpegcaptafol_cis_CONF8_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0597184; Eh
thumbnail.jpegcaptafol_cis_CONF1_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0530924; Eh
thumbnail.jpegcaptafol_cis_CONF10_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0516027; Eh
thumbnail.jpegcaptafol_cis_CONF2_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0510236; Eh
thumbnail.jpegcaptafol_cis_CONF6_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0525146; Eh
thumbnail.jpegcaptafol_cis_CONF8_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0516652; Eh
thumbnail.jpegcaptafol_trans_CONF1_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0382392; Eh
thumbnail.jpegcaptafol_trans_CONF10_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0366548; Eh
thumbnail.jpegcaptafol_trans_CONF11_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0365557; Eh
thumbnail.jpegcaptafol_trans_CONF5_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2831.0367693; Eh
Results 1-25 of 114 (Search time: 0.146 seconds).