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Showing results 221350 to 221369 of 318841 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Oct-2022clomeprop_CONF3_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1744.7435275; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF40_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.45432403; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF40_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1744.7410198; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF41_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.46419427; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF4_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.44621280; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF4_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1744.7317939; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF4_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.46613547; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF4_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1744.7529876; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF4_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.45503489; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF4_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1744.7435277; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF54_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.44591055; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF55_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.44614676; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF56_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.44667101; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF57_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.44677289; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF58_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.44522976; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF5_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.44615070; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF5_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1744.7312295; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF5_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.46497238; Eh
thumbnail.jpeg8-Oct-2022clomeprop_CONF5_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1744.45419970; Eh
thumbnail.jpeg31-Mar-2023CLOMIPRAMINE_1Ieritano, Christian; Haack, AlexanderOrca; 5.0.2; RELEASEGeometry optimization Minimum-def2-TZVPP-1308.02644487; Eh
Showing results 221350 to 221369 of 318841 < previous   next >