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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Oct-2021	Cu_OCOCy	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3225.22513042; Eh
	1-Oct-2021	TS_BH_m_tfmvs	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-1152.86508186; Eh
	31-Jan-2022	/Cluster_(O) IS_Co-OOH_Cluster_(O)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3727.57156119; Eh
	1-Oct-2021	CyCOO_Cs	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Structure	RB3LYP	TZVP DEF2SVP GEN	-444.265897647; Eh
	1-Oct-2021	Cy_9BBN	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-573.656326268; Eh
	1-Oct-2021	F_9BBN	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-438.229385723; Eh
	1-Oct-2021	cyclohexene	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-234.744003538; Eh
	1-Oct-2021	Cu_Cy_CO2	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3225.18291423; Eh
	1-Oct-2021	Cu_atfms	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3655.12450839; Eh
	1-Oct-2021	Cu_F_9BBN_Cy	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3474.78358033; Eh

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