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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jun-2023	E-D2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1364.58400369; Eh
	5-Feb-2019	I6-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-406.853467655; Eh
	31-Jul-2023	/M_P_SACs/M_sq_C4P2_C5P2/Zn_sq_C4P2_C5P2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-607.52232018; eV
	31-Jul-2023	/M_P_SACs/M_sq_C4P2_C5P1/Ag_sq_C4P2_C5P1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-612.69681354; eV
	31-Jul-2023	/M_P_SACs/M_sq_C4P2_C5P2/Ru_sq_C4P2_C5P2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-617.72729671; eV
	29-Feb-2016	FCb-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-669.351603710; Eh
	1-Feb-2019	defect-T-2H-ethylene-TS_(T-TS5)	Ortuño, Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 06 2018 10:40:09) gamma-only	Frequencies	DFT	-	-4802.99501147; eV
	1-Feb-2019	defect-T-2H-ethylene_(T-5)	Ortuño, Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 06 2018 10:40:09) gamma-only	Frequencies	DFT	-	-4803.29053135; eV
	29-Feb-2016	TSb-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1998.52307805; Eh
	29-Feb-2016	TSb-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1998.51098407; Eh

Results 21-30 of 98949 (Search time: 0.004 seconds).