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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 TS2WW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-707.84111732; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpVDZ TS2NW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVDZ; AutoAux	-844.13755008; 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 Water	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-76.06414793; Eh
	17-Oct-2017	/Gas_Geometries G1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-153.63851666; eV
	17-Oct-2017	/Gas_Geometries G10	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	-	-	-155.42984625; eV
	17-Oct-2017	/Gas_Geometries A	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-266.68833229; eV
	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
	17-Oct-2017	/Gas_Geometries G6	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-161.84740664; eV
	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

Results 19411-19420 of 104510 (Search time: 0.012 seconds).