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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	S_29_P_1_29_F_P_1_29_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1015.21766602; Eh
	28-Feb-2026	S_29_P_1_29_F_1_P_1_29_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-915.28271599; Eh
	28-Feb-2026	S_29_P_1_29_O_P_1_29_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-890.98348166; Eh
	28-Feb-2026	S_29_P_1_29_F_P_1_29_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1015.21763280; Eh
	28-Feb-2026	S_29_P_1_29_F_1_P_1_29_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-915.28270800; Eh
	28-Feb-2026	S_29_P_1_29_O_P_1_29_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-890.98298149; Eh
	28-Feb-2026	S_30_P_1_30_F_P_1_30_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-901.16663352; Eh
	28-Feb-2026	S_30_P_1_30_O_P_1_30_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-776.88972953; Eh
	28-Feb-2026	S_30_R_1_30_R_1_30_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-701.13919234; Eh
	28-Feb-2026	S_30_P_1_30_F_P_1_30_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-901.16241493; Eh

Results 384361-384370 of 397199 (Search time: 0.249 seconds).