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Showing results 194018 to 194037 of 318333 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Oct-20235oxy,_dir_Ag140_5foldBruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--374.76104082; eV
thumbnail.jpeg10-Nov-20225’Liu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-1568.61548431; Eh
thumbnail.jpeg10-Nov-20225’ALiu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-2188.09064040; Eh
thumbnail.jpeg7-Jan-20216Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPGENECP-
thumbnail.jpeg7-Dec-20216Laconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
Login required23-Jan-20246Kojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X6-31+G(D,P)-710.793888173; Eh
thumbnail.jpeg9-Jan-20246Kiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGEN-2726.9594278; Eh
thumbnail.jpeg9-Jan-20246Kiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGEN-2727.0242893; Eh
thumbnail.jpeg9-Jan-20246Kiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPGEN-3401.0703971; Eh
thumbnail.jpeg9-Jan-20246Kiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGEN-3401.1362761; Eh
Login required21-Apr-20246von Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-2094.21897485; Eh
thumbnail.jpeg30-Apr-20246Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-804.611913986; Eh
Login required25-Aug-20216-alt2_conf_10Merrill, AmyGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31+G(D,P)-
Login required25-Aug-20216-alt2_conf_11Merrill, AmyGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31+G(D,P)-
Login required25-Aug-20216-alt2_conf_2Merrill, AmyGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31+G(D,P)-
Login required25-Aug-20216-alt2_conf_33Merrill, AmyGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31+G(D,P)-
Login required25-Aug-20216-alt2_conf_45Merrill, AmyGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31+G(D,P)-
Login required25-Aug-20216-alt2_conf_9Merrill, AmyGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31+G(D,P)-
Login required25-Aug-20216-alt_conf_1Merrill, AmyGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31+G(D,P)-
Login required25-Aug-20216-alt_conf_11Merrill, AmyGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31+G(D,P)-
Showing results 194018 to 194037 of 318333 < previous   next >