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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Aug-2022	/reaction_profile NaCo-sodiation-new-ts-dispF	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.43126951; Eh
	6-Aug-2022	/reaction_profile NaCo_TS-fix-ts-disp-bb-noHHMDS	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2781.55294718; Eh
	6-Aug-2022	/products CoNa2-prod-FH1-3cis1trans-dispf	Mu, Manting	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3447.72673162; Eh
	6-Aug-2022	/reaction_profile NaCo_TS-fix-ts-disp-bb	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.40224748; Eh
	6-Aug-2022	/reaction_profile NaCo-Cobaltallation-New-ts	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.38567280; Eh
	6-Aug-2022	/reaction_profile NaCo-sodiation-new-ts	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.39814694; Eh
	6-Aug-2022	/products CoNa2-prod-FH1-4trans	Mu, Manting	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3447.72439196; Eh
	6-Aug-2022	/reaction_profile NaCo_TS-fix-ts-disp-f-tightb-reopt	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Structure	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.40022351; Eh

Results 141-148 of 148 (Search time: 0.002 seconds).