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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Dec-2023	/Isomer_III_Conformers/Opt Isomer_III_c3	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41729245; Eh
	6-Dec-2023	/Isomer_III_Conformers/Opt Isomer_III_c2	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41820308; Eh
	6-Dec-2023	/Isomer_III_Conformers/Opt Isomer_III_c1	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.42002677; Eh
	6-Dec-2023	/Isomer_III_Conformers/Opt Isomer_III	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.41772922; Eh
	6-Dec-2023	/Isomer_III_Conformers/Single_points Isomer_III_c1_SP	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5783602; Eh
	6-Dec-2023	/Isomer_III_Conformers/Single_points Isomer_III_c2_SP	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.577097; Eh
	6-Dec-2023	/Isomer_III_Conformers/Single_points Isomer_III_c3_SP	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5759517; Eh
	6-Dec-2023	/Isomer_III_Conformers/Single_points Isomer_III_SP	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5762819; Eh
	8-Jan-2024	TS5-6	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-2922.2482357; Eh
	8-Jan-2024	int6	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-3210.2546228; Eh

Results 9031-9040 of 12869 (Search time: 0.007 seconds).