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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts I_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-559.355714112; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts W_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-152.872875832; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Minima Imine_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-482.912078597; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Minima Hemiaminal_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-559.354859742; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Minima NButylamine_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-213.775880180; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Minima Benzaldehyde_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-345.562788334; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Minima Water_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-76.4323158176; 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

Results 61-70 of 328 (Search time: 0.002 seconds).