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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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 TS4_Iso_SP	Apaloo-Messan, Edmond	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.4873125; Eh
	24-Jul-2023	/Isomerization_SP TS5_Iso_SP	Apaloo-Messan, Edmond	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.493307; Eh
	24-Jul-2023	/C-H_activation_SP Isomer_III+AcOH_SP	Apaloo-Messan, Edmond	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1353.8084646; Eh
	10-Jul-2023	TS34a_TpBr3_ccpVTZ	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	CC-PVTZ GENECP	-26176.2774945; Eh
	15-Feb-2023	D₃	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-2949.51513438; Eh
	15-Feb-2023	Rh(oac)4C(COOMe)(IArPF6)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-3098.0920419; Eh
	15-Feb-2023	C₂	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4361.23169709; Eh
	15-Feb-2023	Rh(oac)4C(COOMe)(Ph)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-1633.481741; Eh
	15-Feb-2023	IAr	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-470.962475033; Eh

Results 1011-1020 of 12354 (Search time: 0.004 seconds).