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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Sep-2016	/Cs4_Ta6 TD-DFT_Stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1853.73799691; Eh
	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	/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
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe Benzanaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-345.208859468; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-213.572593312; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-76.3575579942; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-558.796653857; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe Imine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-482.428607070; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-635.123110708; Eh

Results 111-120 of 227 (Search time: 0.001 seconds).