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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	Thiobencarb_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1455.72955009; Eh
	31-Mar-2023	Spiroxamine_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-912.68814177; Eh
	31-Mar-2023	Spiroxamine_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-912.69581447; Eh
	31-Mar-2023	Threonine_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-438.71744643; Eh
	31-Mar-2023	Sarcosine_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-324.14319287; Eh
	31-Mar-2023	Tricyclazole_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-910.02168188; Eh
	31-Mar-2023	Tricyclazole_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-909.93512074; Eh
	31-Mar-2023	Threonine_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-438.70146073; Eh
	31-Mar-2023	TRAMADOL_0	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-830.41929399; Eh
	31-Mar-2023	YWHKNKYVLTYSCLFAA	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP	-7440.90886849; Eh

Results 281-290 of 309 (Search time: 0.001 seconds).