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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 TS2NW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-844.34689893; Eh
	24-Feb-2020	/PaperStructures/Solvation/dlpno/solution Benzaldehyde	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-343.56316563; Eh
	24-Feb-2020	/PaperStructures/Solvation/dlpno/vacuum TS2WW	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-708.01674893; Eh
	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/vacuum TS2W	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-631.92637166; Eh
	24-Feb-2020	/PaperStructures/Solvation/dlpno/vacuum TS2	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; AutoAux	-555.84336838; Eh
	11-Apr-2021	/Diels_Alder ma9-mixm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-579.008623522; 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
	19-Mar-2026	/Nb Nb05O16-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-7.44426849; Eh
	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

Results 3161-3170 of 104079 (Search time: 0.005 seconds).