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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Dec-2020	TS_H-transfer_(TS-H)	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	GEN	-1892.43130806; Eh
	23-Jun-2021	Ta2H2_mono-to-di_PhNNPh	Salom, Antoni	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-1530.14061214; Eh
	23-Jun-2021	H2_elimination_TS	Salom, Antoni	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-1530.16578890; Eh
	23-Jun-2021	NN_bond_breaking_TS	Salom, Antoni	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-1529.01704125; Eh
	28-Dec-2020	TS_Ob-transfer-CyH_(TS-3Bbeta)	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2127.07668228; Eh
	28-Dec-2020	TS_H-transfer_(TS-Hw)	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1968.89267991; Eh
	28-Dec-2020	TS_Oa-transfer-carvone_7-8	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	GEN	-2357.14805484; Eh
	28-Dec-2020	TS_Oa-transfer-CyH_protonated_(TS-2BH)	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2127.55598544; Eh
	28-Dec-2020	TS_O-transfer-CyH_dimer_Zr(OO)Zr	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3867.99627137; Eh
	28-Dec-2020	TS_Oa-transfer-CyH_(TS-3B)	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2127.09824905; Eh

Results 11-20 of 56 (Search time: 0.001 seconds).