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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	Sarcosine_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-324.14363707; Eh
	31-Mar-2023	Mexacarbate_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization	-	def2-TZVPP	-728.50993510; Eh
	31-Mar-2023	Mevinphos_0e	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1067.82161379; Eh
	31-Mar-2023	Mevinphos_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1067.84385045; Eh
	31-Mar-2023	Buprofezin_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1261.72138870; Eh
	31-Mar-2023	Buprofezin_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1261.67423767; Eh
	31-Mar-2023	Buprofezin_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1261.72138876; Eh
	31-Mar-2023	Butocarboxim_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization	-	def2-TZVPP	-933.72661163; Eh
	31-Mar-2023	Cyazofamid_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1731.45371805; Eh
	31-Mar-2023	Diuron_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1454.56093590; Eh

Results 121-130 of 309 (Search time: 0.001 seconds).