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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Dec-2023	14-MECP_Sulf_1Ph_singlet-fw	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2271.93896273; Eh
	25-Dec-2023	13-MECP_Sulf_1Ph_triplet-freq	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2271.93127596; Eh
	25-Dec-2023	12-MECP_Sulf_1Ph_singlet-freq	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2271.93128537; Eh
	6-Dec-2023	/opt [Isomer_VII+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1352.52935881; Eh
	6-Dec-2023	/opt [Isomer_Vd+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1352.52023914; Eh
	6-Dec-2023	/opt [Isomer_VI+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1352.52767851; Eh
	6-Dec-2023	/opt [Isomer_V+CH3CO2H]+	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1352.51785034; Eh
	6-Dec-2023	/opt Isomer_VII	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.40369714; Eh
	6-Dec-2023	/opt Isomer_VI	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.37795597; Eh
	6-Dec-2023	/opt Isomer_Vd	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.37714882; Eh

Results 9061-9070 of 12869 (Search time: 0.007 seconds).