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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Nov-2021	/Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4n	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-751.02824764; Eh
	17-Nov-2021	/Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4j	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-751.02743779; Eh
	17-Nov-2021	/Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4l	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-751.03690976; Eh
	17-Nov-2021	/Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4m	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-751.03513613; Eh
	16-Jun-2023	/GSH GSH-H_tt_129_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25285610; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_1b	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-513.73480436; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_1a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-513.73840096; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_2a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-590.20372764; Eh
	16-Jun-2023	/GSH GSH-H_tt_147_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25189987; Eh
	16-Jun-2023	/GSH GSH-H_tt_140_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.21883636; Eh

Results 91-100 of 3928 (Search time: 0.002 seconds).