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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Mar-2023	/NaB-TMP-no-ansiole 2NaPMDETA-TMP-fix-ts	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3553.89374681; Eh
	16-Mar-2023	/NaB-TMP-no-ansiole NaB_int-1-Na	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2462.20977508; Eh
	16-Mar-2023	/LiB-TMP-no-ansiole LiB-boration_prod-XRD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1898.41130474; Eh
	16-Mar-2023	/LiB-TMP-no-ansiole LiB_int-1-Lib	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-2307.48157222; Eh
	16-Mar-2023	/LiB-TMP-no-ansiole Li-PMDETA-TMP-B-NHCH-frozen-ts-b	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2307.44585904; Eh
	16-Mar-2023	/LiB-TMP-no-ansiole LiB-lithation_prod	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1898.39837875; Eh
	22-Aug-2022	/products CoNa2-prod-FH1-4cis-dispbb	Mu, Manting	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3447.71999872; Eh
	22-Aug-2022	/products CoNa2-prod-FH1-2cis2transb	Mu, Manting	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	-	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D)	-3447.73210023; Eh
	6-Aug-2022	/reactant NaHMDS-2ben	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1499.92802097; Eh
	6-Aug-2022	/reactant NaCo-3HMDS-XRD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2927.20869407; Eh

Results 161-170 of 250 (Search time: 0.002 seconds).