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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Mar-2021	/NEUTRAL 2b2pin-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-900.9749634; Eh
	10-Mar-2021	/NEUTRAL 1cpin-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-682.0614792; Eh
	10-Mar-2021	/NEUTRAL 1ames-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-763.7611441; Eh
	20-Nov-2020	GD3Fe4H2O_6_21freq	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7001.34847730; Eh
	20-Nov-2020	Fe4-SK-O_-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-6999.75496445; Eh
	20-Nov-2020	GD3bjFe4OH_6_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	LANL2DZ 6-31G(D,P)	-7000.90322949; Eh
	20-Nov-2020	GD3FeOHFe2FeOH_8_21freq	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.41245890; Eh
	20-Nov-2020	GD3Fe4O_7_20freq	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.21030068; Eh
	14-Oct-2021	/Bpin-Bdan TSA2-Bdan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1766.69812951; Eh
	14-Oct-2021	/Bpin-Bdan A2-Bdan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1046.58467722; Eh

Results 121-130 of 130 (Search time: 0.001 seconds).