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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jan-2017	Optimization_and_Frequencies_part_2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-4259.64360059; Eh
	31-Jan-2017	_1_Optimization_and_Frequencies_part6	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-5546.14232257; Eh
	31-Jan-2017	TD-DFT_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-4757.92369417; Eh
	31-Jan-2017	TD-DFT	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE; TD-FC	-	-4757.92369416; Eh
	31-Jan-2017	_1_Optimization_and_Frequencies_part5	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-5546.12246115; Eh
	13-Dec-2016	positivemodel_HSO4	Melgar, Dolores	ADF; 2012; 01	Single point	DFT	-	-
	28-Feb-2017	/US2(2+)/S=0 CAS(4,8)PT2_opt_triangular	Bandeira, Nuno	Molcas; v8.0.14-09-21	Single point	CASSCF; CASPT2	ANO-RCC	-
	31-Jan-2017	_2_Optimization_and_Frequencies_part1	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.14639114; Eh
	31-Jan-2017	_2_Optimization_and_Frequencies_part3	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.14639183; Eh
	31-Jan-2017	_2_Optimization_and_Frequencies_part4	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	D95(d); SDD	-5546.14636148; Eh

Results 9421-9430 of 103542 (Search time: 0.007 seconds).