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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_36_R_1_36_R_1_36_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-721.67549378; Eh
	28-Feb-2026	C_37_P_1_37_F_P_1_37_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1078.56657597; Eh
	28-Feb-2026	C_37_P_1_37_F_1_P_1_37_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-978.61178198; Eh
	28-Feb-2026	C_37_P_1_37_F_P_1_37_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1078.56663477; Eh
	28-Feb-2026	C_37_P_1_37_F_1_P_1_37_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-978.61099663; Eh
	28-Feb-2026	C_36_R_1_36_R_1_36_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-721.40141833; Eh
	28-Feb-2026	C_36_R_1_36_R_1_36_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-721.40142156; Eh
	28-Feb-2026	C_39_P_1_39_F_1_P_1_39_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1135.43983891; Eh
	28-Feb-2026	C_39_P_1_39_F_P_1_39_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1235.39347466; Eh
	28-Feb-2026	C_39_P_1_39_O_P_1_39_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1111.08982801; Eh

Results 384261-384270 of 397199 (Search time: 0.209 seconds).