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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-May-2024	TO	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-1241.87416378; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ¹TS_s3	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1905.34075696; Eh
	15-Jul-2024	/Geom_Opt ¹E	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1444.53357385; Eh
	15-Jul-2024	/Geom_Opt TS2	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1444.48507085; Eh
	15-Jul-2024	/Geom_Opt ²F	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-1904.78386774; Eh
	15-Jul-2024	/Geom_Opt PhCl	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-691.867993613; Eh
	15-Jul-2024	/Geom_Opt THF	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-232.466918763; Eh
	15-Jul-2024	/Geom_Opt P	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-463.548811930; Eh
	15-Jul-2024	/Geom_Opt COD	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-312.066772785; Eh
	15-Jul-2024	/Geom_Opt Cl•	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G GEN*	-460.135235547; Eh

Results 11311-11320 of 12842 (Search time: 0.008 seconds).