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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2021	/cyc//cyc ox2 d_cyc_34_34_2_111-010	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1023.4672835; Eh
	17-Aug-2022	s_C7F7+_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	6-311+G(D,P)	-965.424506115; Eh
	5-Jul-2022	isomerization_reactant_complex_OMe	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2SVP	-2484.53538139; Eh
	5-Jul-2022	isomerization_RC_CF3	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2SVP	-2706.84879694; Eh
	5-Jul-2022	2b_reactant_complex	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2SVP	-2470.68959992; Eh
	5-Jul-2022	2a-RC	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2SVP	-2470.68824498; Eh
	17-Aug-2022	D7h_s_C7Cl7+_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	6-311+G(D,P)	-3487.81890588; Eh
	17-Aug-2022	s_C7Cl7+_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	6-311+G(D,P)	-3487.82101739; Eh
	5-Jul-2022	2b_product	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UM06L	DEF2SVP	-2470.70149987; Eh
	5-Jul-2022	2a_product	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UM06L	DEF2SVP	-2470.71783301; Eh

Results 961-970 of 1201 (Search time: 0.002 seconds).