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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	TSred-i14-het	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G(D) GENECP	-1384.52593655; Eh
	1-Apr-2022	i4-1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-1315.60233760; Eh
	1-Apr-2022	i0	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-1317.47897055; Eh
	1-Apr-2022	CNpy	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-340.533934275; Eh
	1-Apr-2022	r2	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-409.451976868; Eh
	1-Apr-2022	Irad	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-11.3653979899; Eh
	1-Apr-2022	TSred-i14-hom1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31G(D)	-1206.71629669; Eh
	1-Apr-2022	TSred-i8-hom1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31G(D)	-1206.60061881; Eh
	1-Apr-2022	i7-hom2a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-1573.89020305; Eh
	1-Apr-2022	TShabst1-2a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G(D) GENECP	-1504.86623560; Eh

Results 22681-22690 of 101953 (Search time: 0.015 seconds).