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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/PaperStructures/Solvation/dlpno/vacuum TS2N	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-768.26204356; Eh
	24-Feb-2020	/PaperStructures/Solvation/dlpno/solution NButylamine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-212.40864925; Eh
	24-Feb-2020	/PaperStructures/Solvation/dlpno/solution Hemiaminal	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-555.96683013; Eh
	24-Feb-2020	/PaperStructures/Solvation/dlpno/solution Water	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-76.06452542; Eh
	2-Aug-2018	MDsnap_trimer2_1660	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.97515685; eV
	24-Feb-2020	/PaperStructures/Solvation/dlpno/solution TS2N	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-768.29433092; Eh
	24-Feb-2020	/PaperStructures/Solvation/dlpno/solution TS2W	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-631.96868378; Eh
	24-Feb-2020	/PaperStructures/Solvation/dlpno/solution Imine	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-479.90559335; Eh
	24-Feb-2020	/PaperStructures/Solvation/dlpno/solution TS2	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-555.88299178; Eh
	12-Feb-2019	ol-AuZn-2202	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-150.41735623; eV

Results 19761-19770 of 104510 (Search time: 0.012 seconds).