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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_1_P_1_1_F_1_P_1_1_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-498.21251306; Eh
	28-Feb-2026	S_19_R_1_19_R_1_19_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-587.05463418; Eh
	28-Feb-2026	S_19_R_1_19_R_1_19_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-587.05465111; Eh
	28-Feb-2026	S_24_P_1_24_F_P_1_24_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1169.56509958; Eh
	28-Feb-2026	S_24_P_1_24_O_P_1_24_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1045.29182682; Eh
	28-Feb-2026	S_24_R_1_24_R_1_24_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-969.54457922; Eh
	28-Feb-2026	S_25_P_1_25_F_1_P_1_25_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1300.40890929; Eh
	28-Feb-2026	S_24_P_1_24_O_P_1_24_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1045.52262991; Eh
	28-Feb-2026	S_24_P_1_24_F_P_1_24_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1169.76090295; Eh
	28-Feb-2026	S_24_P_1_24_O_P_1_24_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1045.51999357; Eh

Results 389691-389700 of 402296 (Search time: 0.217 seconds).