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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Aug-2022	/reactant Co-2HMDSb	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1891.58433869; Eh
	6-Aug-2022	/intermediates NaCo-3HMDS-C6F5Hb-disp-b2-reopt	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.43445724; Eh
	6-Aug-2022	/intermediates NaCoHMDS-prod-tC6F5-mono	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2781.56404375; Eh
	6-Aug-2022	/intermediates NaCo-Int-2brC6F5-HMDS-new	Mu, Manting	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2635.87850234; Eh
	6-Aug-2022	/intermediates NaCo-Int-HMDS-2C6F5-disp-b	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2635.89688644; Eh
	6-Aug-2022	/intermediates NaCo-Int-3C6F5b	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2490.21730671; Eh
	6-Aug-2022	/intermediates NaCo-3HMDS-XRD-Ben	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-3159.40249640; Eh
	6-Aug-2022	/intermediates Na2-1ben	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2303.35362248; Eh
	6-Aug-2022	/reactant Na2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2071.15460282; Eh
	6-Aug-2022	/reaction_profile NaCo-sodiation-new-ts-dispB	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.41799612; Eh

Results 121-130 of 148 (Search time: 0.001 seconds).