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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	Norbuprenorphine_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1329.87636126; Eh
	31-Mar-2023	NICOTINIC_ACID_0	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-437.26830979; Eh
	31-Mar-2023	Nuarimol_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1400.23707418; Eh
	31-Mar-2023	Norsetraline_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1594.34144022; Eh
	31-Mar-2023	Nortriptyline_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-791.84652532; Eh
	31-Mar-2023	Nortriptyline_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-791.84156733; Eh
	31-Mar-2023	Nortriptyline_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-791.84042367; Eh
	31-Mar-2023	Pencycuron_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1382.08418094; Eh
	31-Mar-2023	Pencycuron_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1382.07198692; Eh
	31-Mar-2023	Pencycuron_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1382.08336628; Eh

Results 11-20 of 309 (Search time: 0.001 seconds).