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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Apr-2020	TS-assoc-NH_act	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-2163.67092640; Eh
	28-Apr-2020	TS-BH_act	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1915.47292821; Eh
	24-Nov-2022	/TS-C-C-coupling TS-CC-from-2	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-3054.91625334; Eh
	24-Nov-2022	/TS-C-X-coupling TS-CI-from-2	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-3054.90364410; Eh
	24-Nov-2022	/TS-C-C-coupling TS-CC-from-3	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-4491.74861157; Eh
	24-Nov-2022	/TS-C-X-coupling TS-CI-from-3	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-4491.72957182; Eh
	24-Nov-2022	/TS-C-C-coupling TS-CC-from-2Cl	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-3952.43886105; Eh
	24-Nov-2022	/TS-C-X-coupling TS-CCl-from-4Cl	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-2964.34380579; 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 Na2-PMDETAdiss-SiMe3b_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	-2610.13049213; Eh

Results 31-40 of 131 (Search time: 0.002 seconds).