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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Nov-2021	/Clonidine_Clusters/ACN_Clusters Clonidine_ACN_1a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1566.29157928; Eh
	16-Jun-2023	/GSH GSH-H_tt_141_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.21322825; Eh
	17-Nov-2021	/Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4q	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-751.01834371; Eh
	17-Nov-2021	/Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4r	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-751.02652789; Eh
	17-Nov-2021	/Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4s	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-751.03219976; Eh
	17-Nov-2021	/Aniline_Clusters/ACN_Clusters Aniline_ACN_1a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-420.77420142; Eh
	10-Sep-2019	Ce(O)(OH)(NO3)2	Bandeira, Nuno	Orca; 4.0.1; RELEASE	Geometry optimization Minimum	RI-MP2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-9728.70595124; Eh
	16-Jun-2023	/GSH GSH-H_tt_134_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25793114; Eh
	16-Jun-2023	/GSH GSH-H_tt_133_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24117724; Eh
	16-Jun-2023	/GSH GSH-H_tt_132_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23631478; Eh

Results 111-120 of 3928 (Search time: 0.002 seconds).