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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_31_R_1_31_R_1_31_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-899.07264811; Eh
	28-Feb-2026	S_31_R_1_31_R_1_31_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-899.07265244; Eh
	28-Feb-2026	S_35_P_1_35_F_P_1_35_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-940.09434372; Eh
	28-Feb-2026	S_35_P_1_35_F_1_P_1_35_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-840.12958715; Eh
	28-Feb-2026	S_34_R_1_34_R_1_34_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-933.02798513; Eh
	28-Feb-2026	S_35_P_1_35_F_P_1_35_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-939.74845249; Eh
	28-Feb-2026	S_35_P_1_35_F_1_P_1_35_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-839.79059386; Eh
	28-Feb-2026	S_35_P_1_35_F_P_1_35_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-939.74842353; Eh
	28-Feb-2026	S_35_P_1_35_F_1_P_1_35_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-839.79058963; Eh
	28-Feb-2026	S_34_R_1_34_R_1_34_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-933.17588675; Eh

Results 383721-383730 of 397199 (Search time: 0.217 seconds).