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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2021	Ru_31a_27_O_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	-1459.76091507; Eh
	28-Aug-2021	Ru_31a_27_oh4_LSb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1460.20372163; Eh
	28-Aug-2021	Ru_31a_24_OH_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	-1349.72633267; Eh
	28-Aug-2021	Ru_31a_24_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	-1349.08905180; Eh
	28-Aug-2021	Ru_31a_23_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	-1502.74957923; Eh
	28-Aug-2021	Ru_31a_23_OH_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	-1503.38735999; Eh
	28-Aug-2021	Ru_31a_22_OH_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	-1657.04854905; Eh
	10-Aug-2020	Fe_N-PCo3-EoV-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7734.83616601; Eh
	10-Aug-2020	Fe_N-PCo3-Eoh-b3lyp-ls-pcm_fromSibb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7735.50735124; Eh
	10-Aug-2020	Mn_N-SiCo3-Eoh-b3lyp-hs-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7612.89645144; Eh

Results 381-390 of 1937 (Search time: 0.003 seconds).