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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	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
	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
	10-Sep-2019	trans_NdO(OH)2(NO3)2	Bandeira, Nuno	Orca; 4.0.1.2; RELEASE	Geometry optimization	RI-MP2; mp2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-10593.78208090; Eh
	10-Sep-2019	CeO2(NO3)2	Bandeira, Nuno	Orca; 4.0.1; RELEASE	Geometry optimization Minimum	RI-MP2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-9728.07894039; Eh
	18-Sep-2019	/Profile_1 step_C	Bandeira, Nuno	ADF; 2017	Geometry optimization	DFT	TZP; DZP; SZ	-34.74659411; Eh
	18-Sep-2019	/Profile_1 TS_C	Bandeira, Nuno	ADF; 2017	TS	DFT	TZP; DZP; SZ	-34.72515028; Eh
	18-Sep-2019	/Profile_1 step_B	Bandeira, Nuno	ADF; 2017	Geometry optimization TS	DFT	TZP; DZP; SZ	-34.78387269; Eh
	18-Sep-2019	/Profile_1 TS_B	Bandeira, Nuno	ADF; 2017	TS	DFT	TZP; DZP; SZ	-34.73114135; Eh
	10-Sep-2019	Pr(OH)(NO3)3	Bandeira, Nuno	Orca; 4.0.1; RELEASE	Geometry optimization	RI-MP2	AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP	-10322.65347409; Eh

Results 1-10 of 68 (Search time: 0.002 seconds).