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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Aug-2022	D7h_s_C7Br7+_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	6-311+G(D,P)	-18285.3687049; Eh
	17-Aug-2022	D7h_s_C7I7+_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	SDD 6-311+G(D,P) GEN	-345.940770165; Eh
	17-Aug-2022	s_C7Br7+_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	6-311+G(D,P)	-18285.3816701; Eh
	17-Aug-2022	s_C7I7+_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	SDD 6-311+G(D,P) GEN	-345.995593145; Eh
	17-Aug-2022	s_C7Br7-_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	6-311+G(D,P)	-18285.7698296; Eh
	17-Aug-2022	s_C7H7+_BLYP	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RBLYP	6-311+G(D,P)	-270.620272649; 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
	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
	17-Aug-2022	/CCSD(T)_single_point_calculations cam-b3lyp	Escayola, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RCCSD	6-311+G(D,P)	-18273.2873242; Eh

Results 1-10 of 102 (Search time: 0.001 seconds).