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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_38_P_1_38_F_P_1_38_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1096.84962836; Eh
	28-Feb-2026	S_38_P_1_38_O_P_1_38_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-972.55331714; Eh
	28-Feb-2026	S_38_R_1_38_R_1_38_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-896.79801767; Eh
	28-Feb-2026	S_39_P_1_39_F_1_P_1_39_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1495.28608046; Eh
	28-Feb-2026	S_38_P_1_38_O_P_1_38_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-972.43383178; Eh
	28-Feb-2026	S_38_P_1_38_F_P_1_38_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1096.69250401; Eh
	28-Feb-2026	S_38_P_1_38_O_P_1_38_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-972.43382771; Eh
	28-Feb-2026	S_38_R_1_38_R_1_38_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-896.64988617; Eh
	28-Feb-2026	S_38_R_1_38_R_1_38_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-896.64988946; Eh
	28-Feb-2026	S_5_P_1_5_F_1_P_1_5_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-768.05089861; Eh

Results 389721-389730 of 402296 (Search time: 0.235 seconds).