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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2021	/Benzylpyridinium/DFT pOEt_BP_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-672.91570112; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Ethylene_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-424.52638097; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/ACN_Clusters NicotinicAcid_ACN_3d	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-835.60924422; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/ACN_Clusters NicotinicAcid_ACN_2b	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-702.83425031; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/ACN_Clusters NicotinicAcid_ACN_3c	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-835.62571620; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/ACN_Clusters NicotinicAcid_ACN_2a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-702.85641028; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/ACN_Clusters NicotinicAcid_ACN_1a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-570.06530925; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/ACN_Clusters NicotinicAcid_ACN_1b	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-570.04715588; Eh
	5-May-2021	/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Ethylene_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-424.52634638; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/H2O_Clusters NicotinicAcid_H2O_2g	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-590.19462518; Eh

Results 61-70 of 328 (Search time: 0.002 seconds).