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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Sep-2016	/Cs8_Nb6 TD-DFT	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE; TD-FC	-	-1933.83413082; Eh
	19-Sep-2016	/Cs1_Ta6 TD-DFT	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE; TD-FC	-	-1793.33940168; Eh
	19-Sep-2016	/Cs8_Nb6 DFT_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1933.24140606; Eh
	19-Sep-2016	/Cs4_Ta6 TD-DFT_Stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1853.73799691; Eh
	19-Sep-2016	/Cs4_Ta6 AO_contribution_analysis	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-
	28-Feb-2017	/ThS2(2+) ThS2(2+)_linear	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	HF	ANO-RCC	-
	13-Oct-2016	/Na8_Ta6 Optimization_(with_erroneous_frequency_calculation)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-3070.00186719; Eh
	13-Oct-2016	/Na8_Ta6 def2TZVP_(no_TD-DFT;_no_refreq)_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-650.671664034; Eh
	13-Oct-2016	/Rb8_Ta6 Optimization_and_Frequencies_part_3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-1965.24011373; Eh
	13-Oct-2016	/Na8_Ta6 DFT_stability_(not_on_refreq)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-650.671664034; Eh

Results 9511-9520 of 103542 (Search time: 0.008 seconds).