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Showing results 21 to 23 of 23 < previous

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
26-Mar-2023	/GROUP_C/Triplet 21	Escayola, Silvia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UCAM-B3LYP	6-311+G(D,P) LANL2DZ GENECP	-2250.2789122; Eh
7-Jan-2023	/vac-PBE_6-311g(d,p) IQ-Me_anion_D0_Min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UPBE1PBE	6-311G(D,P)	-1322.97065748; Eh
7-Jan-2023	/vac-PBE_6-311g(d,p) IQ-Me_S0_Min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	6-311G(D,P)	-1322.89103709; Eh

Showing results 21 to 23 of 23 < previous