Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Sep-2022bixafen_CONF15_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.1010804; Eh
Login required8-Sep-2022bixafen_CONF13_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.101081; Eh
Login required8-Sep-2022bixafen_CONF3_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.1020461; Eh
Login required8-Sep-2022bixafen_CONF18_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.10108; Eh
Login required8-Sep-2022bixafen_CONF13_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.0932612; Eh
Login required8-Sep-2022bixafen_CONF17_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.0932606; Eh
Login required8-Sep-2022bixafen_CONF15_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.0932604; Eh
Login required8-Sep-2022bixafen_CONF17_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.101081; Eh
Login required8-Sep-2022bixafen_CONF9_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-2153.0760629; Eh
Login required8-Sep-2022thifluzamide_CONF37_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle point-def2-TZVPP-6904.86512691; Eh
Results 1-10 of 10846 (Search time: 0.006 seconds).

Discover

Method