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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Feb-2023	D₁	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-3420.49670788; Eh
	15-Feb-2023	1a	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GENECP*	-576.878141924; Eh
	15-Feb-2023	N₂	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GEN	-109.521834845; Eh
	24-Jul-2023	/Isomerization_SP TS3_Iso_SP	Apaloo-Messan, Edmond	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5499468; Eh
	24-Jul-2023	/Isomerization_SP Intermediate1_SP	Apaloo-Messan, Edmond	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5488136; Eh
	25-Dec-2023	02-TS12_1Ph_proAz-TS-F-bk	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2271.86024937; Eh
	25-Dec-2023	00-TpBrCu_NTs	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-1886.00944479; Eh
	25-Dec-2023	01-Sub_1Ph_Enyne	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-385.825947887; Eh
	25-Dec-2023	35-MECP_Sulf_4Ph_singlet-fw_COFrozen_ScCO_prod_ScSO_2e0-TS-C-F2-	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2272.01379074; Eh
	25-Dec-2023	33-MECP_Sulf_4Ph_singlet-fw_COFrozen_ScCO-TS_int-C4-ScCO-TS-F-TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2271.97091607; Eh

Results 8921-8930 of 12869 (Search time: 0.007 seconds).