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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jul-2019	/dispersion/Ru_1/evac dispersion_Ru-1-VAC-dispersion	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1769.4606841; Eh
	1-Jul-2019	/dispersion/Ru_1/o4 dispersion_Ru-1-O4	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1844.6421992; Eh
	1-Jul-2019	/dispersion/Ru_1/o5 dispersion_Ru-1-O	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1844.4275147; Eh
	1-Jul-2019	/dispersion/Ru_1/ooh dispersion_Ru-1-OOH-dispersion	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UTPSSh	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-1920.436875; 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
	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
	10-Aug-2020	FePCo3-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	-7659.89844442; Eh
	10-Aug-2020	Fe_nnHS-PCo4-Eo-b3lyp-ls-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7734.99462620; Eh
	10-Aug-2020	Fe_nnHS-PCo4-Eoh-b3lyp-ls-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7735.66754714; Eh
	10-Aug-2020	SiCo4-Evac-b3lyp-hs-pcm-disp-bbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7578.19824197; Eh

Results 81-90 of 120 (Search time: 0.002 seconds).