1. Institute of Chemical Research of Catalonia

Browsing by Subject implicit solvation

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Showing results 1 to 20 of 38  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Mar-2024A_NGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-559.6246575; Eh
Login required20-Mar-2024A_N_NGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-773.5355923; Eh
Login required20-Mar-2024A_N_N_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-850.0197495; Eh
Login required20-Mar-2024A_N_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-636.1000272; Eh
Login required20-Mar-2024A_N_W_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-712.5825696; Eh
Login required20-Mar-2024A_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-422.1883047; Eh
Login required20-Mar-2024A_W_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-498.6634214; Eh
Login required20-Mar-2024BenzaldehydeGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-345.7153507; Eh
Login required20-Mar-2024HemiaminalGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-559.6227099; Eh
Login required20-Mar-2024I_NGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-697.0654082; Eh
Login required20-Mar-2024I_N_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-773.5452483; Eh
Login required20-Mar-2024I_N_W_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-850.023861; Eh
Login required20-Mar-2024I_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-559.6319156; Eh
Login required20-Mar-2024I_W_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-636.1082566; Eh
Login required20-Mar-2024I_W_W_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-712.5871; Eh
Login required20-Mar-2024ImineGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-483.1535656; Eh
Login required20-Mar-2024Int_NGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-773.5371301; Eh
Login required20-Mar-2024Int_N_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-850.0174096; Eh
Login required20-Mar-2024Int_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-636.1053801; Eh
Login required20-Mar-2024Int_W_WGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-712.5885291; Eh
Showing results 1 to 20 of 38  next >