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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2020	2a	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06	6-31G* 6-31G* LANL2DZ GEN*	-1469.70314314; Eh
	26-Aug-2020	TS2a	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM06	6-31G* 6-31G* LANL2DZ GEN*	-1469.65139115; Eh
	26-Aug-2020	TS9a	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM06	6-31G* 6-31G* LANL2DZ GEN*	-1469.63836448; Eh
	26-Aug-2020	TS2f	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM06	6-31G* 6-31G* LANL2DZ GEN*	-1469.63448955; Eh
	26-Aug-2020	RhcodCO3H	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06	6-31G LANL2DZ GEN*	-685.633851405; Eh
	26-Aug-2020	1a	Deng, Chao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06	6-31G* 6-31G* GEN*	-784.028444291; Eh
	24-Jun-2019	Mo-1c	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1795.74903391; Eh
	24-Jun-2019	Post_hydride_transfer	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-1940.43681816; Eh
	27-Aug-2019	Mo-12-alt2	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2225.50729563; Eh
	27-Aug-2019	Mo-4-gas-singlet	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2487.84977489; Eh

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