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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
19-Sep-2016	/Cs8_Ta6 AO_contribution_analysis	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-
28-Feb-2017	/UO2(2+) Triplet_eta2-UO2(2+)_CAS(4,8)PT2	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	CASSCF; CASPT2	ANO-RCC	-
28-Feb-2017	/UO2(2+) Quintet_eta2-UO2(2+)_CAS(4,8)PT2	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	CASSCF; CASPT2	ANO-RCC	-
28-Feb-2017	/PuS2(2+)/S=1 Triangular_S=1	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	CASSCF; CASPT2	ANO-RCC	-
28-Feb-2017	/PuS2(2+)/S=0 Linear_S=0	Bandeira, Nuno	Molcas; v8.0.15-06-18	Single point	CASSCF; CASPT2	ANO-RCC	-
28-Feb-2017	/PuS2(2+)/S=2 Linear_S=2	Bandeira, Nuno	Molcas; v8.0.15-06-18	Single point	CASSCF; CASPT2	ANO-RCC	-
28-Feb-2017	/PuS2(2+)/S=1 Linear_S=1	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	CASSCF; CASPT2	ANO-RCC	-
19-Sep-2016	/Cs8_Ta6 TD-DFT_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1934.24463196; Eh
19-Sep-2016	/Cs8_Ta6 TD-DFT	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE; TD-FC	-	-1934.24463199; Eh
19-Sep-2016	/Cs4_Nb6 TD-DFT_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1853.32427520; Eh

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