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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Nov-2023	1NG_neut_C01_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-549.59162551; Eh
	10-Nov-2023	1NG_neut_C02_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-549.59376597; Eh
	10-Nov-2023	1NG_neut_C00_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-549.59122569; Eh
	10-Nov-2023	ETN_neut_C004_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91219777; Eh
	10-Nov-2023	ETN_neut_C001_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91143721; Eh
	10-Nov-2023	ETN_neut_C005_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91695753; Eh
	10-Nov-2023	ETN_neut_C003_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91531921; Eh
	10-Nov-2023	ETN_neut_C002_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.90990166; Eh
	10-Nov-2023	ETN_NO3_C003_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48146421; Eh
	10-Nov-2023	ETN_NO3_C004_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48953876; Eh

Results 3881-3890 of 3920 (Search time: 0.005 seconds).