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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	Se_8_P_1_8_F_P_1_8_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2799.05023294; Eh
	28-Feb-2026	Se_8_P_1_8_F_1_P_1_8_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2699.04129942; Eh
	28-Feb-2026	Se_8_P_1_8_O_P_1_8_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2674.79675560; Eh
	28-Feb-2026	Se_8_P_1_8_F_P_1_8_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2799.04990288; Eh
	28-Feb-2026	Si_16_P_1_16_F_1_P_1_16_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-657.14720849; Eh
	28-Feb-2026	Si_15_P_1_15_O_P_1_15_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-593.56630005; Eh
	28-Feb-2026	Si_15_R_1_15_R_1_15_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-517.67636877; Eh
	28-Feb-2026	Si_16_P_1_16_F_1_P_1_16_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-657.21016257; Eh
	28-Feb-2026	Si_15_P_1_15_O_P_1_15_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-593.61653651; Eh
	28-Feb-2026	Si_16_P_1_16_F_1_P_1_16_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-657.21007609; Eh

Results 384561-384570 of 397056 (Search time: 0.237 seconds).