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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_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_25_P_1_25_F_1_P_1_25_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1300.40869106; 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
	28-Feb-2026	S_24_R_1_24_R_1_24_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-969.77870532; Eh
	28-Feb-2026	S_24_R_1_24_R_1_24_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-969.77872222; Eh
	28-Feb-2026	S_29_P_1_29_F_1_P_1_29_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-915.21104770; Eh
	28-Feb-2026	S_29_P_1_29_F_P_1_29_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1015.13874324; Eh
	28-Feb-2026	S_29_P_1_29_O_P_1_29_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-890.87308212; Eh

Results 384351-384360 of 397199 (Search time: 0.254 seconds).