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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
19-Sep-2016	/Cs8_Ta6 Refreq	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-1933.68759421; Eh
19-Sep-2016	/Nb6 Refreq	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-1772.25485431; Eh
28-Feb-2017	/US2(2+)/S=2 CAS(4,8)PT2_quintet_optimisation	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	CASSCF; CASPT2	ANO-RCC	-
28-Feb-2017	/US2(2+)/S=1 Triplet_CAS(12,13)PT2	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	CASSCF; CASPT2	ANO-RCC	-
28-Feb-2017	/PuS2(2+)/S=3 Septet_triangular	Bandeira, Nuno	Molcas; v8.0.15-06-18	Single point	CASSCF; CASPT2	ANO-RCC	-
28-Feb-2017	/PuS2(2+)/S=2 Triangular_S=2	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	CASSCF; CASPT2	ANO-RCC	-
19-Sep-2016	/Cs8_Ta6 Optimization_and_Frequencies_part_2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-1933.68759276; Eh
19-Sep-2016	/Cs8_Ta6 DFT_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1933.68759421; Eh
13-Oct-2016	/Li8_Ta6 Optimization	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-1832.63102730; Eh
19-Sep-2016	/Cs8_Ta6 AO_contribution_analysis	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-

Results 9451-9460 of 103542 (Search time: 0.008 seconds).