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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 Na2_PMDETA_SiMe3-dimer_scanCH2-ts1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2610.16694569; 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-lowest-energypath TS2	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.76779943; Eh
	24-Nov-2022	/TS-C-X-coupling TS-CI-from-4	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-1618.07123970; 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_ts3	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1478.37871791; Eh
	8-Sep-2021	TS2-Pd-ArF-Sn	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-2907.58827786; Eh
	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-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-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

Results 41-50 of 163 (Search time: 0.002 seconds).