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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_39_P_1_39_O_P_1_39_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1470.93295018; Eh
	28-Feb-2026	S_39_R_1_39_R_1_39_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1395.21619710; Eh
	28-Feb-2026	S_5_P_1_5_F_P_1_5_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-867.97226387; Eh
	28-Feb-2026	S_5_P_1_5_O_P_1_5_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-743.68360399; Eh
	28-Feb-2026	S_5_R_1_5_R_1_5_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-667.89088700; Eh
	28-Feb-2026	S_6_P_1_6_F_1_P_1_6_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-959.38191014; Eh
	28-Feb-2026	S_5_P_1_5_O_P_1_5_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-743.73057099; Eh
	28-Feb-2026	S_5_P_1_5_F_P_1_5_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-867.98554686; Eh
	28-Feb-2026	S_5_P_1_5_O_P_1_5_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-743.73057511; Eh
	28-Feb-2026	S_5_R_1_5_R_1_5_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-667.90909764; Eh

Results 388261-388270 of 397899 (Search time: 0.267 seconds).