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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	ETN_NO3_C007_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48824049; Eh
	10-Nov-2023	ETN_NO3_C009_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48746391; Eh
	10-Nov-2023	ETN_NO3_C010_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.47920538; Eh
	10-Nov-2023	ETN_NO3_C011_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48553664; Eh
	10-Nov-2023	ETN_NO3_C008_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48604363; Eh
	10-Nov-2023	ETN_NO3_C012_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48821496; Eh
	10-Nov-2023	Tetryl_NO3_C0_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1426.11297171; Eh
	10-Nov-2023	Tetryl_NO3_C2_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1426.11311525; Eh
	10-Nov-2023	Tetryl_NO3_C1_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1426.11244109; Eh
	16-Jun-2023	/GSH GSH-H_tt_370_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25769112; Eh

Results 3901-3910 of 3928 (Search time: 0.005 seconds).