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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Apr-2022	i8-hom2a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-1562.29737103; Eh
	1-Apr-2022	i6-2a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D) GENECP	-1164.37526550; Eh
	1-Apr-2022	i10	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-754.874712615; Eh
	1-Apr-2022	MnIIdma-6	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-103.743937501; Eh
	1-Apr-2022	NiI2	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-192.398362600; Eh
	1-Apr-2022	TSred-i9-hom1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G(D) GENECP	-1547.12993880; Eh
	1-Apr-2022	i13-hom1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-1547.25973347; Eh
	1-Apr-2022	i4-2a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-1493.47103417; Eh
	1-Apr-2022	i5-1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-975.050869121; Eh
	1-Apr-2022	i13-het	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-1725.12428474; Eh

Results 23291-23300 of 101944 (Search time: 0.015 seconds).