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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Feb-2022	/Pathway_c4c5_nocat TS6A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-3226.22126574; Eh
	11-Feb-2022	/Pathway_c4c5_nocat TS3A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-3226.21160870; Eh
	11-Feb-2022	/Pathway_c4c5_nocat TS5A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-3226.25003482; Eh
	11-Feb-2022	/Pathway_c4c5_nocat TS4A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-3226.23692163; Eh
	11-Feb-2022	/Pathway_c4c5_cat TS3	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-4796.25401291; Eh
	11-Feb-2022	/Pathway_c4c5_cat TS2_SL	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-4796.26321677; Eh
	11-Feb-2022	/Pathway_c5c4_cat TS2C_LS	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-4796.21919759; Eh
	29-Sep-2021	TS-2A_R	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2278.64752428; Eh
	29-Sep-2021	TS-2A_S	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2278.65013713; Eh
	29-Sep-2021	TS-2B_R	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2278.65359935; Eh

Results 541-550 of 616 (Search time: 0.003 seconds).