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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jun-2023	/GSH GSH-H_tt_197_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.22078519; Eh
	16-Jun-2023	/GSH GSH-H_tt_193_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24382504; Eh
	16-Jun-2023	/GSH GSH-H_tt_192_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23312589; Eh
	16-Jun-2023	/GSH GSH-H_tt_190_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23661383; Eh
	16-Jun-2023	/GSH GSH-H_tt_184_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25262619; Eh
	16-Jun-2023	/GSH GSH-H_tt_200_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25192528; Eh
	16-Jun-2023	/GSH GSH-H_tt_196_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25676160; Eh
	17-Nov-2021	/bare_ions 3-Aminoquinoline	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-457.65843652; Eh
	16-Jun-2023	/GSH GSH-H_tt_187_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23054416; Eh
	16-Jun-2023	/GSH GSH-H_tt_185_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24998148; Eh

Results 41-50 of 3920 (Search time: 0.001 seconds).