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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_ccpVQZ TS2NW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVQZ; AutoAux	-844.43713663; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVQZ TS2N	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVQZ; AutoAux	-768.33818710; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVQZ TS2WW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVQZ; AutoAux	-708.09818529; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVQZ TS2W	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVQZ; AutoAux	-632.01517457; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpV5Z Hemiaminal	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-556.00865268; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-555.93833064; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpV5Z Imine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-479.93960266; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpV5Z Water	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-76.07418742; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-ts2-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-2135.27701800; Eh
	8-Nov-2018	/water/complexes aq-sime3mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-739.2871377; Eh

Results 601-610 of 12842 (Search time: 0.004 seconds).