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Showing results 193131 to 193150 of 317914 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Oct-2022245-T_CONF1_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1914.22326707; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF1_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1914.4270847; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF1_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1914.24296195; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF1_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1914.4468561; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF1_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1914.23740274; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF1_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1914.4422855; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF2_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1914.22278710; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF2_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1914.4266381; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF2_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1914.24170076; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF2_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1914.4459721; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF2_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1914.23569331; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF2_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1914.4410461; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF5_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1914.22191520; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF5_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1914.4247043; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF5_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1914.24132869; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF5_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1914.4447767; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF5_waterPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1914.23573789; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF5_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1914.440079; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF6_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1914.22205214; Eh
thumbnail.jpeg8-Oct-2022245-T_CONF6_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1914.4248775; Eh
Showing results 193131 to 193150 of 317914 < previous   next >