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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes omeZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2463.64879957; Eh
	29-Feb-2016	Int3b-trans-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.37634771; Eh
	8-Nov-2018	/water/complexes aq-sime3nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-690.203962; Eh
	12-Feb-2019	sa-RhZn-2324	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-371.58400743; eV
	12-Feb-2019	sa-RuCu-2316	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-453.59410653; eV
	4-Jan-2022	/CH2OH_rotation_isomers/opt/Single_Points Dprime_anti_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3101.1582231; Eh
	23-Jul-2018	/Isobutene/Pt/111/9H C4H9NTtoC4H10NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Frequencies	DFT	-	-376.27924742; eV
	29-Feb-2016	FCb-trans-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2464.20157521; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2W	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-632.02664212; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2N	Pérez-Soto, Raúl	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	cc-pV5Z; AutoAux	-768.35092914; Eh

Results 19161-19170 of 104512 (Search time: 0.013 seconds).