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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2021	NaFe-1TMP-Toluene_TS2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2983.73262462; Eh
	19-Mar-2021	NaFe-1TMP-partial-diss_TS1	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2712.22227836; Eh
	19-Mar-2021	Na2Fe2-1TMP+2TMP-3HMDS	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	-	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D)	-4494.82088898; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na-anisol-BR2-2nd-prod_NEW2_fix-ts	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2225.4716421; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na-anisol-BR-product-solv_scanCHb_ts1b	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2746.42525369; Eh
	8-Jun-2022	/td-DFT 2x2-2L_AB	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RTD-wB97XD-FC	6-31G(D) 6-31G(D,P) GEN	-1231.1676028; Eh
	8-Jun-2022	/td-DFT 3x3-2L-AB	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RTD-wB97XD-FC	6-31G(D,P) GEN	-2302.8179986; Eh
	8-Jun-2022	/td-DFT 2x2-1L	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RwB97XD-FC	6-31G(D) 6-31G(D,P) GEN	-615.5695113; Eh
	8-Jun-2022	/td-DFT 3x3-1L	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RTD-wB97XD-FC	6-31G(D,P) GEN	-1151.3796011; Eh
	8-Jun-2022	/3x3 3x3-3L_ABC	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD	6-31G(D) 6-31G(D,P) GEN	-3454.25774036; Eh

Results 1-10 of 33 (Search time: 0.002 seconds).