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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Jul-2024/Phenazine/Phenazine-H2/Charge_3 q3_p21_M4Lamsabhi, Al MokhtarGaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumUB3LYP6-31G(D,P) 6-311++G(3DF,3PD)-569.013568; Eh
thumbnail.jpeg10-Jul-2024/Phenazine/Phenazine-H2/Charge_3 q3_p214_M2Lamsabhi, Al MokhtarGaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumUB3LYP6-31G(D,P) 6-311++G(3DF,3PD)-569.0282492; Eh
thumbnail.jpeg10-Jul-2024/Phenazine/Phenazine-H2/Charge_2 q2_p17_M3Lamsabhi, Al MokhtarGaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumUB3LYP6-31G(D,P) 6-311++G(3DF,3PD)-569.6300349; Eh
thumbnail.jpeg10-Jul-2024/Phenazine/Phenazine-H2/Charge_1 q1_p114_M4Lamsabhi, Al MokhtarGaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumUB3LYP6-31G(D,P) 6-311++G(3DF,3PD)-570.0972492; Eh
thumbnail.jpeg10-Jul-2024/Phenazine/Phenazine-H2/Charge_1 q1_p28_M4Lamsabhi, Al MokhtarGaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumUB3LYP6-31G(D,P) 6-311++G(3DF,3PD)-570.1075473; Eh
thumbnail.jpeg10-Jul-2024/Phenazine/Phenazine-H2/Charge_1 q1_p28_M2Lamsabhi, Al MokhtarGaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumUB3LYP6-31G(D,P) 6-311++G(3DF,3PD)-570.1165534; Eh
thumbnail.jpeg10-Jul-2024/Phenazine/Phenazine-H2/Charge_1 q1_p26_M4Lamsabhi, Al MokhtarGaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumUB3LYP6-31G(D,P) 6-311++G(3DF,3PD)-570.1063446; Eh
thumbnail.jpeg10-Jul-2024/Phenazine/Phenazine-H2/Charge_1 q1_p27_M4Lamsabhi, Al MokhtarGaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumUB3LYP6-31G(D,P) 6-311++G(3DF,3PD)-570.1077939; Eh
thumbnail.jpeg10-Jul-2024/Phenazine/Phenazine-H2/Charge_1 q1_p114_M2Lamsabhi, Al MokhtarGaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumUB3LYP6-31G(D,P) 6-311++G(3DF,3PD)-570.095469; Eh
thumbnail.jpeg10-Jul-2024/Phenazine/Phenazine-H2/Charge_1 q1_p27_M2Lamsabhi, Al MokhtarGaussian; 16; EM64L-G16RevB.01Geometry optimization MinimumUB3LYP6-31G(D,P) 6-311++G(3DF,3PD)-570.1165995; Eh
Results 951-960 of 1513 (Search time: 0.002 seconds).