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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
4-Feb-2026	CpSRhH2R_sRh9H41_2_19ts_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2252.91998034051403; Eh
4-Feb-2026	CpSRhH2R_sH57H64_17ts_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2253.02269732625882; Eh
4-Feb-2026	CpSRhH2R_sC0H64_19ts_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2253.02231953872206; Eh
4-Feb-2026	CpSRhH2R_sC0H64_19ts_vib_fwd_r	Nelson, David	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	-	-2253.17705908352582; Eh
4-Feb-2026	CpSRhH2R_sH57H64_17ts_ircf	Nelson, David	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	-	-2253.17811266178433; Eh
4-Feb-2026	CpSRhH2R_sRh9H41_2_19ts	Nelson, David	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	-	-2253.05695182085856; Eh
4-Feb-2026	CpSRhH2R_sH57H64_17ts	Nelson, David	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	-	-2253.17684811191975; Eh
4-Feb-2026	CpSRhH2R_sC0H64_19ts	Nelson, David	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	-	-2253.17595081941909; Eh
4-Feb-2026	CpS_RhIII_RAr_sC0C1_20ts_ircr_sRh9H40_34ts_ircr_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2152.58662736409269; Eh
4-Feb-2026	CpS_RhIII_RAr_sC0C1_20ts_ircr_sRh9H40_34ts_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2152.53347254214441; Eh

Results 383341-383350 of 397867 (Search time: 0.259 seconds).