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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Mar-2023	SULINDAC_1	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1496.51408426; Eh
	31-Mar-2023	THIOTIXENE_1	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-2005.47891939; Eh
	31-Mar-2023	THIOTIXENE_2	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-2005.47664163; Eh
	31-Mar-2023	THIORIDAZINE_3	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1722.26271405; Eh
	31-Mar-2023	THIORIDAZINE_1	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1722.25733067; Eh
	31-Mar-2023	THIORIDAZINE_2	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1722.27715766; Eh
	31-Mar-2023	THIABENDAZOLE_3	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-948.05973614; Eh
	31-Mar-2023	DIMETHOMORPH_E_3	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1629.77375971; Eh
	31-Mar-2023	DIMETHOMORPH_E_5	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1629.78938294; Eh
	31-Mar-2023	DIMETHOMORPH_E_4	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1629.78449740; Eh

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