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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	FENAMIPHOS_SULFONE_1	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1679.64757077; Eh
	31-Mar-2023	FENAMIPHOS_SULFONE_2	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1679.62598463; Eh
	31-Mar-2023	FIPRONIL_3	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-2672.05183906; Eh
	31-Mar-2023	FLUFENACET_4	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1654.09876746; Eh
	31-Mar-2023	INDAPAMIDE_R_4	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1868.07729679; Eh
	31-Mar-2023	INDOXACARB_6	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-2299.72484310; Eh
	31-Mar-2023	INDOXACARB_3	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-2299.71772791; Eh
	31-Mar-2023	INDOXACARB_4	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-2299.70041737; Eh
	31-Mar-2023	INDOXACARB_2	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-2299.73229375; Eh
	31-Mar-2023	INDOXACARB_5	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-2299.72312588; Eh

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