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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jun-2018	16F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-1893.09125919; Eh
	4-Jun-2018	TS11-12F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-802.564960176; Eh
	4-Jun-2018	09DMF	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-1855.22648317; Eh
	4-Jun-2018	11DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-650.250841566; Eh
	28-Aug-2021	Ru_pbp_4_VAC_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1769.36568805; Eh
	28-Aug-2021	Ru_oct_desorbed_4_oxo	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1844.53889442; Eh
	28-Aug-2021	Ru_oct_desorbed_3_oxo_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1706.88998341; Eh
	28-Aug-2021	Ru_41a_1_oxo_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1575.63355489; Eh
	28-Aug-2021	Ru_3a1_9_O5	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	-	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D)	-1595.53769752; Eh
	4-Jun-2018	TS14-02F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-2007.53031957; Eh

Results 291-300 of 1523 (Search time: 0.002 seconds).