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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Dec-2017	/Racemization/Scan2_2 Scan2_2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.264959142; Eh
1-Dec-2017	/Racemization/From6RingTo5/Al_Cat/CO2_Insertion/TS_CC TS_CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2214.95562318; Eh
1-Dec-2017	/Racemization/Prod_H Prod_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.933545631; Eh
30-May-2021	/benchmarking/wB97X_D_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-5079.2464923; Eh
30-May-2021	/benchmarking/wB97X_D_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-8026.0897768; Eh
30-May-2021	/benchmarking/wB97X_D_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-3258.8386869; Eh
30-May-2021	/benchmarking/wB97X_D_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-312.021771; Eh

Results 491-497 of 497 (Search time: 0.002 seconds).