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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	Promecarb_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-673.17280602; Eh
	31-Mar-2023	Propoxur_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-709.07996198; Eh
	31-Mar-2023	Propoxur_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-709.07152975; Eh
	31-Mar-2023	Pyracarbolid_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-710.05508855; Eh
	31-Mar-2023	Pyracarbolid_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-710.06388991; Eh
	31-Mar-2023	Pyracarbolid_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-710.05341674; Eh
	31-Mar-2023	Pyrimethanil_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-629.81982428; Eh
	31-Mar-2023	Pyrimethanil_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization	-	def2-TZVPP	-629.80956937; Eh
	31-Mar-2023	Pyrimethanil_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization	-	def2-TZVPP	-629.81030332; Eh
	31-Mar-2023	Quinoxyfen_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1727.08535324; Eh

Results 61-70 of 309 (Search time: 0.001 seconds).