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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_16_P_1_16_O_P_1_16_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-381.69594243; Eh
	28-Feb-2026	C_17_P_1_17_F_1_P_1_17_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-562.99224555; Eh
	28-Feb-2026	C_16_P_1_16_O_P_1_16_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-381.69593970; Eh
	28-Feb-2026	C_16_R_1_16_R_1_16_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-305.85197847; Eh
	28-Feb-2026	C_16_R_1_16_R_1_16_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-305.85197444; Eh
	28-Feb-2026	C_22_P_1_22_F_1_P_1_22_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-562.55794294; Eh
	28-Feb-2026	C_22_P_1_22_F_P_1_22_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-662.45695592; Eh
	28-Feb-2026	C_22_P_1_22_O_P_1_22_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-538.16847269; Eh
	28-Feb-2026	C_22_P_1_22_F_P_1_22_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-662.86791011; Eh
	28-Feb-2026	C_22_P_1_22_O_P_1_22_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-538.62706851; Eh

Results 382351-382360 of 397899 (Search time: 0.233 seconds).