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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_Isopropylene_1	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization	-	def2-TZVPP	-463.85176183; 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
	10-Sep-2019	cis_NdO2(NO3)2	Bandeira, Nuno	Orca; 4.0.1; RELEASE	Geometry optimization	RI-MP2; mp2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-10517.72964142; Eh
	10-Sep-2019	PrO(NO3)3	Bandeira, Nuno	Orca; 4.0.0.2; RELEASE	Geometry optimization	RI-MP2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-10321.96392279; Eh
	10-Sep-2019	Pr(eta2-O2)(NO3)2	Bandeira, Nuno	Orca; 4.0.0.2; RELEASE	Geometry optimization	RI-MP2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-10117.54740489; Eh
	10-Sep-2019	Trans_NdO2(NO3)2	Bandeira, Nuno	Orca; 4.0.1; RELEASE	Geometry optimization	RI-MP2; mp2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-10517.47828513; Eh
	10-Sep-2019	Cis_NdO2(NO3)2	Bandeira, Nuno	Orca; 4.0.1; RELEASE	Geometry optimization	RI-MP2; mp2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-10517.73071104; Eh
	10-Sep-2019	NO2	Bandeira, Nuno	Orca; 4.0.0.2; RELEASE	Geometry optimization	RI-MP2	AutoAux; ZORA-def2-TZVP	-204.33594163; Eh
	16-Jun-2023	/GSH GSH-H_tt_057_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-1406.23750054; Eh

Results 71-80 of 358 (Search time: 0.001 seconds).