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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_4_P_1_4_F_P_1_4_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-469.08357945; Eh
	28-Feb-2026	C_4_P_1_4_O_P_1_4_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-344.82482556; Eh
	28-Feb-2026	C_4_R_1_4_R_1_4_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-268.81503122; Eh
	28-Feb-2026	C_4_R_1_4_R_1_4_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-268.81503010; Eh
	28-Feb-2026	S_10_P_1_10_F_P_1_10_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-927.86650049; Eh
	28-Feb-2026	S_10_P_1_10_O_P_1_10_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-803.59850163; Eh
	28-Feb-2026	S_10_R_1_10_R_1_10_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-727.73559289; Eh
	28-Feb-2026	S_11_P_1_11_F_1_P_1_11_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1065.21086477; Eh
	28-Feb-2026	S_10_P_1_10_F_P_1_10_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-927.79551731; Eh
	28-Feb-2026	S_10_P_1_10_O_P_1_10_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-803.56232849; Eh

Results 388411-388420 of 401714 (Search time: 0.265 seconds).