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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Aug-2020	GeCo4-Eo-b3lyp-ls-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point TS	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-11223.6237092; Eh
	10-Aug-2020	GeCo4-Eo-b3lyp-ls-pcmb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-11223.6237092; Eh
	10-Aug-2020	GeCo4-Evac-b3lyp-hs-pcmb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-11148.5195613; Eh
	10-Aug-2020	GeCo4-Evac-b3lyp-hs-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-11148.5195613; Eh
	10-Aug-2020	GeCo4-Eooh-b3lyp-ls-pcmb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-11299.4347877; Eh
	10-Aug-2020	GeCo4-Eooh-b3lyp-ls-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-11299.4347877; Eh
	10-Aug-2020	Cr_N-AlCo3-EoohIV-b3lyp-hs-pcm_restartbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7576.40465713; Eh
	10-Aug-2020	Cr_N-AlCo3-EoV-b3lyp-ls-pcm_fromPbb-b_3e-1bb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7500.61479571; Eh
	10-Aug-2020	Cr_N-AlCo3-EohIV-b3lyp-ls-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7501.27039492; Eh
	10-Aug-2020	Cr_N-AlCo3-EvacIII-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7425.48019767; Eh

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