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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Apr-2020	TS3	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	-1916.67830272; Eh
	28-Apr-2020	TS5	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	-1997.54407607; Eh
	28-Apr-2020	TS4	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	-1916.68733140; Eh
	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
	16-Jan-2023	ts-67-t	Kiriakidi, Sofia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3PW91	DEF2SVP	-1576.22590543; Eh
	9-Jun-2023	/HFIP_FES/TS2_hfip TS2_opt+freq_hfip	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	6-31+G(D,P) SDD GENECP	-2543.48071249; Eh
	9-Jun-2023	/HFIP_FES/TS1_hfip TS1_opt+freq_hfip	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	6-31+G(D,P) SDD GENECP	-1870.82215023; Eh
	9-Jun-2023	/DCM_FES/TS1_dcm TS1_opt+freq_dcm	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	6-31+G(D,P) SDD GENECP	-1870.84554775; Eh
	9-Jun-2023	/HFIP_FES/TS3_hfip TS3_opt+freq_hfip	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	6-31+G(D,P) SDD GENECP	-2660.00869505; Eh

Results 71-80 of 133 (Search time: 0.002 seconds).