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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Nov-2023	NG_neut_C10_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-958.73563864; Eh
	10-Nov-2023	Tetryl_neut_C2_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1145.54496310; Eh
	10-Nov-2023	Tetryl_neut_C0_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1145.54494983; Eh
	10-Nov-2023	Tetryl_neut_C1_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1145.54396409; Eh
	10-Nov-2023	Tetryl_neut_C3_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1145.54660337; Eh
	16-Jun-2023	/GSH GSH-H_tt_361_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24857864; Eh
	16-Jun-2023	/GSH GSH-H_tt_363_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25911230; Eh
	16-Jun-2023	/GSH GSH-H_tt_365_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.21492306; Eh
	16-Jun-2023	/GSH GSH-H_tt_362_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.22045581; Eh
	16-Jun-2023	/GSH GSH-H_tt_364_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25982066; Eh

Results 3851-3860 of 3920 (Search time: 0.005 seconds).