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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/Benchmark/dlpno_ccpVDZ Hemiaminal	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-555.81679108; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ NButylamine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-212.40774665; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ TS2W	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-631.78652831; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ Imine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-479.78193106; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ TS2	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-555.71782531; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ Hemiaminal	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-555.96389988; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ TS2	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-555.88351925; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ Imine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-479.90281541; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVTZ Water	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-76.06414793; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i5-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.93673831; Eh

Results 621-630 of 12842 (Search time: 0.004 seconds).