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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	TS2_SN2_Cy	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-3225.14663244; Eh
	1-Oct-2021	tfmvs_9BBN_am	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-1152.93187841; Eh
	1-Oct-2021	hfib_9BBN_am	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-1091.91339643; Eh
	1-Oct-2021	hfib_9BBN_m	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-1091.90959245; Eh
	1-Oct-2021	H_9BBN_dimer	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-677.780136551; Eh
	1-Oct-2021	hfibCOO_Cs_am	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP DEF2SVP GEN	-962.523348290; Eh
	1-Oct-2021	hfibCOO_Cs_m	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP DEF2SVP GEN	-962.517368061; Eh
	1-Oct-2021	CsI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	DEF2SVP GEN	-318.070699973; Eh
	1-Oct-2021	Cu_Cy	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3036.51279269; Eh
	1-Oct-2021	tfmbCOO_Cs	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP DEF2SVP GEN	-664.674512678; Eh

Results 81-90 of 901 (Search time: 0.001 seconds).