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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Mar-2021	/ANIONIC/TS 1bpin-aduct	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-582.159735595; Eh
	10-Mar-2021	/NEUTRAL 2a2dan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-1079.70545588; Eh
	10-Mar-2021	/NEUTRAL 2cpindan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1201.6685722; Eh
	10-Mar-2021	/ANIONIC 3pin2dan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1489.7333927; Eh
	10-Mar-2021	/NEUTRAL 1cdan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-791.0807658; Eh
	10-Mar-2021	/ANIONIC 33dan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1598.7505344; Eh
	28-Dec-2020	Zr(OOH)2-protonated_conformer2	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2044.01286905; Eh
	10-Mar-2021	/ANIONIC/TS 1cpin-aduct	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-773.870609760; Eh
	10-Mar-2021	/ANIONIC/TS 1ames-aduct	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-855.586037349; Eh
	10-Mar-2021	/ANIONIC/TS 33pin-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1364.06403122; Eh

Results 371-380 of 541 (Search time: 0.001 seconds).