ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
8249
8250
8251
8252
8253
8254
8255
...
10413
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c0/Pd_Fe_N_din6_as_c0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.84182564; eV
	19-Mar-2026	/AsTaW As01Ta04W05O31-3H-iso-2220	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-13.66447667; Eh
	30-Aug-2025	S7-P	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2204.41054467; Eh
	30-Aug-2025	S5-P	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2204.38513135; Eh
	30-Aug-2025	S6-P	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2204.39082793; Eh
	30-Aug-2025	S2-P	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2204.40143467; Eh
	30-Aug-2025	S3-P	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2204.38936676; Eh
	30-Aug-2025	S4-P	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2204.37443737; Eh
	26-Feb-2025	/single_point_recalculations_Eel/T75 Mo09O37-16H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T75 Mo09O37-17H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-

Results 82511-82520 of 104124 (Search time: 0.048 seconds).