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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-alternative-TSs BR3+ansiolebb-scan2-ts2	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1717.08800478; Eh
	16-Mar-2023	/Anisole-lowest-energypath TS21a	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.78417920; Eh
	16-Mar-2023	/Anisole-alternative-TSs NaB_ts1Conf1-fix-ts1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.75301465; 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 Na2_PMDETA_SiMe3-dimer_scanCHb_ts1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2610.15573708; Eh
	16-Mar-2023	/Anisole-alternative-TSs Na2_PMDETA_SiMe3-dimer_New-fix_tsb	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2610.15250416; 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
	16-Mar-2023	/Anisole-alternative-TSs Naanisol-BR3_scanCH-ts	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2297.29361782; Eh
	16-Mar-2023	/Anisole-alternative-TSs NaB_ts1Conf15-fix-ts	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.76373822; Eh
	16-Mar-2023	/Anisole-alternative-TSs NaB_ts1Conf3	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.74754681; Eh

Results 51-60 of 163 (Search time: 0.001 seconds).