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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Mar-2021	/LITHIUM 1bpin-Li	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-497.2989331; Eh
	10-Mar-2021	/SUBSTRACT Li	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-7.29236553425; Eh
	28-Dec-2020	Zr-OH_protonated_(AH)	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1817.78159258; Eh
	14-Oct-2021	/STEP-A/TFE A-TFE	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-1195.89063325; Eh
	14-Oct-2021	/STEP-A/TFE E-1-TFE	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-759.451179205; Eh
	10-Mar-2021	/PALLADIUM/TS 33pin-Pd-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2229.15070393; Eh
	10-Mar-2021	/COPPER 2b2pin-Cu	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2499.1290173; Eh
	10-Mar-2021	/LITHIUM/TS 2a2pin-Li-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P)	-983.103068037; Eh
	10-Mar-2021	/LITHIUM/TS 1apin-Li-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P)	-572.489064972; Eh
	10-Mar-2021	/LITHIUM 33pin-Li	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1279.2035254; Eh

Results 571-580 of 2546 (Search time: 0.001 seconds).