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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jun-2019	Formaldehyde	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GEN*	-114.444173546; Eh
	24-Jun-2019	Methanol	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GEN*	-115.662742120; Eh
	24-Jun-2019	Mo-10-alt2	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2225.50729563; Eh
	24-Jun-2019	Pre_hydride_transfer	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1940.40853549; Eh
	24-Jun-2019	Mo-9a-alt2	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1940.46273311; Eh
	24-Jun-2019	Mo-9a-Li	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1785.73101516; Eh
	24-Jun-2019	Mo-9b	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1979.75973133; Eh
	24-Jun-2019	Mo-ts-14-15-K	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2379.21831410; Eh
	24-Jun-2019	Mo-6	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2265.94216725; Eh
	24-Jun-2019	N-methylaniline	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GEN*	-326.680166980; Eh

Results 21-30 of 68 (Search time: 0.001 seconds).