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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jan-2017	_2_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	D95(d); SDD	-5546.14260271; Eh
	31-Jan-2017	_1_Optimization_and_Frequencies_part8	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-5546.14258599; Eh
	31-Jan-2017	_2_Stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	D95(d); SDD	-5546.14718331; Eh
	31-Jan-2017	_1_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	D95(d); SDD	-5546.14293495; Eh
	28-Feb-2017	/US2(2+)/S=1 CAS(4,8)PT2_optimisation_triplet	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	CASSCF; CASPT2	ANO-RCC	-
	31-Jan-2017	_2_Optimization_and_Frequencies_part4	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.14718331; Eh
	31-Jan-2017	_1_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.14293477; Eh
	31-Jan-2017	_2_Optimization_and_Frequencies_part5	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	D95(d); SDD	-5546.14718332; Eh
	31-Jan-2017	_1_Optimization_and_Frequencies_part2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	D95(d); SDD	-5546.14293477; Eh
	31-Jan-2017	DFT_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	D95(d); SDD	-4259.64360060; Eh

Results 9441-9450 of 103542 (Search time: 0.008 seconds).