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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ss-PdRe-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-339.80383395; eV
	28-Nov-2017	ss-PdRe-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-335.20047830; eV
	11-Apr-2021	/N_sulfonylguanidine n2-i1add-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.92624089; Eh
	4-Jan-2022	/CH2OH_rotation_isomers/opt Cdoubleprime_E	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) LANL2DZ GENECP	-3100.22949085; Eh
	11-Feb-2022	TpBr3CuN_t_v2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-1886.00803414; Eh
	9-Nov-2018	/vacuum/complexes pcl3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2536.65080911; Eh
	22-Feb-2020	V_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3022.8770152; Eh
	5-Nov-2018	_OH1_t_static	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-175.08461690; eV
	24-Jul-2020	HMo8O26	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	28-Nov-2017	ss-PdPt-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-284.98390270; eV

Results 8281-8290 of 103542 (Search time: 0.006 seconds).