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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/Minima Hemiaminal_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-559.354859742; Eh
	11-Apr-2021	/N_sulfonylguanidine n3-i3-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1338.54267016; Eh
	8-Nov-2018	/water/complexes aq-sime3nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-690.203962; Eh
	9-Nov-2018	/vacuum/complexes omeZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2463.64879957; 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/dlpno_ccpV5Z TS2NW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-844.45178722; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2W	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-632.02664212; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2N	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-768.35092914; Eh

Results 581-590 of 12842 (Search time: 0.004 seconds).