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Showing results 1 to 20 of 31 next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
31-Dec-2024	deOxy_structure1_25	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30193605; Eh
31-Dec-2024	deOxy_structure1_28	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30167617; Eh
31-Dec-2024	deOxy_structure1_41	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.29956334; Eh
31-Dec-2024	deOxy_structure1_42	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30110499; Eh
31-Dec-2024	deOxy_structure1_56	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30456983; Eh
31-Dec-2024	deOxy_structure1_66	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30112209; Eh
31-Dec-2024	deOxy_structure1_69	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30457803; Eh
31-Dec-2024	deOxy_structure1_71	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30194720; Eh
31-Dec-2024	deOxy_structure2_ex1_34	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30083872; Eh
31-Dec-2024	deOxy_structure2_ex1_36	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.29846870; Eh
31-Dec-2024	deOxy_structure2_ex1_38	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30106239; Eh
31-Dec-2024	deOxy_structure2_ex1_39	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30108236; Eh
31-Dec-2024	deOxy_structure2_ex1_40	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30432421; Eh
31-Dec-2024	deOxy_structure2_ex1_42	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30179572; Eh
31-Dec-2024	deOxy_structure2_ex1_44	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30054371; Eh
31-Dec-2024	deOxy_structure2_ex1_53	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.29846066; Eh
31-Dec-2024	deOxy_structure2_ex1_55	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30106498; Eh
31-Dec-2024	deOxy_structure2_ex1_62	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30176356; Eh
31-Dec-2024	deOxy_structure2_ex2_44	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30099500; Eh
31-Dec-2024	deOxy_structure2_ex2_51	Soisaeng, Nutthakarn	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-2188.30161681; Eh

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