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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	C_6_R_1_6_R_1_6_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-499.52868122; Eh
	28-Feb-2026	C_6_R_1_6_R_1_6_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-499.52867897; Eh
	28-Feb-2026	S_13_P_1_13_F_1_P_1_13_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-648.10225257; Eh
	28-Feb-2026	S_12_P_1_12_O_P_1_12_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-584.56269104; Eh
	28-Feb-2026	S_12_R_1_12_R_1_12_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-508.69692358; Eh
	28-Feb-2026	S_13_P_1_13_F_P_1_13_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-747.90808418; Eh
	28-Feb-2026	S_13_P_1_13_F_1_P_1_13_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-647.98573678; Eh
	28-Feb-2026	S_13_P_1_13_F_1_P_1_13_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-647.98573897; Eh
	28-Feb-2026	S_12_P_1_12_O_P_1_12_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-584.42465125; Eh
	28-Feb-2026	S_12_R_1_12_R_1_12_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-508.54785453; Eh

Results 391601-391610 of 402241 (Search time: 0.244 seconds).