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

Search

previous
1
...
116
117
118
119
120
121
122
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2017	9_tbu_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ONIOM; wB97XD; UFF	lanl2dz; 6-31+g(d)	-2450.03583151; Eh
	29-Sep-2017	5_d_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	lanl2dz; 6-31+g(d)	-2450.24885820; Eh
	16-Jul-2018	OAcH	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-229.086275769; Eh
	29-Sep-2017	6major_tbu_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UwB97XD	lanl2dz; 6-31+g(d)	-4183.38024263; Eh
	29-Sep-2017	TSminor_d_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	ONIOM; wB97XD; UFF	lanl2dz; 6-31+g(d)	-3868.82106378; Eh
	29-Sep-2017	5_tbu_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ONIOM; wB97XD; UFF	lanl2dz; 6-31+g(d)	-2450.25305125; Eh
	29-Sep-2017	4_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	lanl2dz; 6-31+g(d)	-2529.39739093; Eh
	29-Sep-2017	7major_tbu_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	lanl2dz; 6-31+g(d)	-3868.70255562; Eh
	29-Sep-2017	TSmajor_tbu_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	ONIOM; wB97XD; UFF	lanl2dz; 6-31+g(d)	-3868.82383426; Eh
	29-Sep-2017	7minor_tbu_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	lanl2dz; 6-31+g(d)	-4183.24481518; Eh

Results 1181-1190 of 12842 (Search time: 0.003 seconds).