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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Aug-2020	Ni_N-PCo3-Eoh-b3lyp-ls-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point TS	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7781.50034644; Eh
	10-Aug-2020	Ni_N-PCo3-Eo-b3lyp-ls-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point TS	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7780.82323235; Eh
	10-Aug-2020	Ni_N-PCo3-Evac-b3lyp-hs-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point TS	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7705.74379469; Eh
	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	Mn_N-SiCo3-Eooh-b3lyp-hs-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point TS	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7688.02684117; Eh
	10-Aug-2020	Mn_N-SiCo3-Evac-b3lyp-hs-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point TS	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7537.08812774; Eh
	10-Aug-2020	SiCo4-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	-7653.30237682; Eh
	18-Mar-2022	TS-CO2RR-TEOAassisted	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Single point TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2078.87856190; Eh
	31-May-2022	TS2	Prasad, Supreeth	Gaussian; 16; EM64W-G16RevA.03	Single point TS	-	DEF2SVP	-1736.23515826; Eh
	10-Aug-2022	/Theozyme_G16 Theozyme_TS-9	Soysal, Esra Nur	Gaussian; 16; EM64L-G16RevA.03	Single point TS	RmPW1PW91	6-31+G(D,P)	-

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