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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	KLVFFVHHQKLVFYR	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP	-6549.65293394; Eh
	31-Mar-2023	KRIVQRIKDFLR	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP	-5303.61745072; Eh
	31-Mar-2023	LLGGGGDFR	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-3086.38116694; Eh
	31-Mar-2023	Carbendazim_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-663.56404035; Eh
	31-Mar-2023	Carbendazim_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-663.57280023; Eh
	31-Mar-2023	Butocarboxim_0f	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization	-	def2-TZVPP	-933.72611836; Eh
	31-Mar-2023	CAFFEINE_0	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-680.81071112; Eh
	31-Mar-2023	Cyromazine_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-563.65090305; Eh
	31-Mar-2023	Cyromazine_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-563.64531698; Eh
	31-Mar-2023	Cyromazine_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-563.64456267; Eh

Results 241-250 of 309 (Search time: 0.001 seconds).