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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Mar-2023	/Anisole-lowest-energypath TS1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.77833263; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na-PMDETA_CH2SiMe3-anisole_TS2b	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1478.38963365; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na-anisol-BR-2nd_int1-scanCHb_ts	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2746.42721354; Eh
	16-Mar-2023	/Anisole-alternative-TSs BR4-anisole-fix2-ts2	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2063.17732218; Eh
	16-Mar-2023	/Anisole-lowest-energypath TS11a	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1438.36206832; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na-CH2SiMe3-anisol_NEW-scanb_ts2	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1478.37866410; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na-anisol-BR2-2nd-prod_NEW-fix3-scan-ts2	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2746.41919601; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na2-PMDETAdiss-SiMe3b_scanCH_ts1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2610.15317849; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na2-PMDETAdiss-SiMe3b_scanCHbb_ts1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2610.15230070; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na-anisol-BR-product-scanCHb-ts	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.76488001; Eh

Results 91-100 of 145 (Search time: 0.002 seconds).