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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_3_P_1_3_F_P_1_3_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-676.67529535; Eh
	28-Feb-2026	S_3_P_1_3_F_1_P_1_3_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-576.74133072; Eh
	28-Feb-2026	S_3_P_1_3_O_P_1_3_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-552.41607310; Eh
	28-Feb-2026	S_3_P_1_3_F_P_1_3_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-676.67527826; Eh
	28-Feb-2026	S_3_P_1_3_F_1_P_1_3_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-576.74136596; Eh
	28-Feb-2026	S_39_R_1_39_R_1_39_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1395.21618994; Eh
	28-Feb-2026	S_6_P_1_6_F_P_1_6_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1059.14573495; Eh
	28-Feb-2026	S_6_P_1_6_F_1_P_1_6_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-959.23474755; Eh
	28-Feb-2026	S_6_P_1_6_O_P_1_6_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-934.86129842; Eh
	28-Feb-2026	S_6_P_1_6_F_P_1_6_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1059.29273504; Eh

Results 387581-387590 of 397899 (Search time: 0.228 seconds).