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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/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 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 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 TS2	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-555.88299178; 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
	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
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-916.28117097; eV
	18-May-2017	transition	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Frequencies	-	-	-904.73057174; eV
	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
	17-Apr-2019	/DMC_selective_dissociation Adsorbed_DMC_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Geometry optimization	DFT	-	-1609.18869939; eV

Results 3171-3180 of 104079 (Search time: 0.005 seconds).