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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	Glycine_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-284.82109597; Eh
	31-Mar-2023	Thiobencarb_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1455.73685275; Eh
	31-Mar-2023	Thiobencarb_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1455.74289393; Eh
	31-Mar-2023	Thiobencarb_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1455.74238968; Eh
	31-Mar-2023	Spiroxamine_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-912.69570789; Eh
	31-Mar-2023	Mexacarbate_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-728.50988700; Eh
	31-Mar-2023	SafraninO_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-992.47365879; Eh
	31-Mar-2023	Carboxin_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1068.93811124; Eh
	31-Mar-2023	Cyprodinil_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-707.21915440; Eh
	31-Mar-2023	Cyprodinil_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-707.21668050; Eh

Results 141-150 of 309 (Search time: 0.001 seconds).