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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2022	MECP_t_freq	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2487.68161453; Eh
	20-Nov-2021	imnme2nme2-pdph3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-1043.91936854; Eh
	11-Mar-2021	DCM_TS5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-2312.27130014; Eh
	11-Mar-2021	DCM_metallocarbene6	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2312.28934831; Eh
	11-Mar-2021	DCM_metallocarbene7	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2198.98507083; Eh
	11-Mar-2021	DCM_INTDCO1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2312.28247342; Eh
	11-Mar-2021	DCM_TSDCO2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-2312.28176016; Eh
	11-Mar-2021	DCM_TSDCO	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-2312.27070328; Eh
	11-Mar-2021	TOL_metallocarbene6	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2312.27930916; Eh
	11-Mar-2021	TOL_metallocarbene7	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2198.97560717; Eh

Results 10381-10390 of 12842 (Search time: 0.008 seconds).