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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/ACN_Clusters Aniline_ACN_2b	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-553.56623699; Eh
	17-Nov-2021	/Aniline_Clusters/ACN_Clusters Aniline_ACN_4b	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-819.12322661; Eh
	17-Nov-2021	/Aniline_Clusters/ACN_Clusters Aniline_ACN_2a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-553.56635719; Eh
	17-Nov-2021	/Aniline_Clusters/ACN_Clusters Aniline_ACN_1b	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-420.77465179; Eh
	17-Nov-2021	/Aniline_Clusters/ACN_Clusters Aniline_ACN_3a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-686.36250622; Eh
	17-Nov-2021	/Aniline_Clusters/ACN_Clusters Aniline_ACN_4a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-819.12062199; Eh
	17-Nov-2021	/Aniline_Clusters/ACN_Clusters Aniline_ACN_4c	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-819.13754268; Eh
	10-Sep-2019	Nd(eta2-O2)(H2O)(NO3)2	Bandeira, Nuno	Orca; 4.0.1.2; RELEASE	Geometry optimization	RI-MP2; mp2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-10593.84297704; Eh
	17-Nov-2021	/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_2c	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1665.02148334; Eh
	10-Sep-2019	Ce(OH)(NO3)3	Bandeira, Nuno	Orca; 4.0.1; RELEASE	Geometry optimization	RI-MP2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-9933.14520932; Eh

Results 11-20 of 358 (Search time: 0.002 seconds).