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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jun-2021	Ta2H2-NN_di	Salom, Antoni	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-1530.19077477; Eh
	23-Jun-2021	Ta(NPh)Cp_Cl2	Salom, Antoni	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-764.544447645; Eh
	23-Jun-2021	Ta2H2Cp_2Cl4	Salom, Antoni	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-957.376442212; Eh
	23-Jun-2021	PhNNPh-cis	Salom, Antoni	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GENECP	-572.760354164; Eh
	28-Dec-2020	dimer_Zr-(OO)(OH)-Zr_monoprotonated	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3709.80517802; 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
	14-Oct-2021	/STEP-A/MeOH BneopOMe	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-487.006649808; Eh
	14-Oct-2021	/STEP-A/MeOH C	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-1131.37759745; Eh
	14-Oct-2021	/STEP-A/MeOH A	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-858.925287712; Eh
	14-Oct-2021	/STEP-A/MeOH B	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-1131.37116984; Eh

Results 361-370 of 541 (Search time: 0.001 seconds).