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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Sep-2026	alkene_triplet_eq	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	b3lyp	CC-PVDZ GEN	-795.8192916; Eh
15-Sep-2026	alkene_noneq	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	b3lyp	CC-PVDZ GEN	-795.788142; Eh
15-Sep-2026	alkene_eq	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	b3lyp	CC-PVDZ GEN	-795.9048404; Eh
15-Sep-2026	bi_cat	Apaloo-Messan, Edmond	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-690.116303035; Eh
15-Sep-2026	TX_noneq	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	b3lyp	CC-PVDZ GEN	-973.7448681; Eh
15-Sep-2026	TX_eq	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	b3lyp	CC-PVDZ GEN	-973.7521788; Eh
15-Sep-2026	TX_triplet_eq	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	b3lyp	CC-PVDZ GEN	-973.652789; Eh
15-Sep-2026	TX_triplet_noneq	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	b3lyp	CC-PVDZ GEN	-973.6453602; Eh
15-Sep-2026	TX_triplet	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-973.652788974; Eh
15-Sep-2026	TX	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	b3lyp	CC-PVDZ GEN	-973.752178769; Eh

Results 104461-104470 of 104471 (Search time: 0.062 seconds).