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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jun-2023	/GSH GSH-H_tt_309_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24690091; Eh
	16-Jun-2023	/GSH GSH-H_tt_311_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24141648; Eh
	16-Jun-2023	/GSH GSH-H_tt_314_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25149658; Eh
	16-Jun-2023	/GSH GSH-H_tt_308_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24343779; Eh
	16-Jun-2023	/GSH GSH-H_tt_312_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.22967877; Eh
	17-Apr-2024	EtOAc	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-307.90758728; Eh
	17-Apr-2024	C2H4	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-78.65483539; Eh
	17-Apr-2024	H2O	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-76.47670257; Eh
	10-Nov-2023	13DNG_NO3_C04_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1034.74135413; Eh
	10-Nov-2023	1NG_neut_C03_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-549.58938592; Eh

Results 3871-3880 of 3920 (Search time: 0.004 seconds).