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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Oct-2021	/STEP-A/TFE TSA-TFE	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P)	-1955.32141469; Eh
	10-Mar-2021	/PALLADIUM 1apin-Pd	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1994.81814577; Eh
	10-Mar-2021	/LITHIUM 1cdan-Li	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-798.0018699; Eh
	10-Mar-2021	/COPPER/TS 33dan-Cu-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3311.92866685; Eh
	10-Mar-2021	/PALLADIUM/TS 1apin-Pd-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1407.96286464; Eh
	10-Mar-2021	/COPPER 33pin-Cu	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2870.4387639; Eh
	10-Mar-2021	/LITHIUM/TS 1apin-Li-aduct	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-572.493555743; Eh
	10-Mar-2021	/LITHIUM 1cpin-Li	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-688.9972043; Eh
	14-Oct-2021	/STEP-A/TFE Bneop-OCH2CF3	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-823.964597315; Eh
	10-Mar-2021	/PALLADIUM 2a2pin-Pd	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2405.42405438; Eh

Results 21-30 of 167 (Search time: 0.0 seconds).