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

Search

previous
1
2
3
4
5
6
...
9163
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jul-2017	TS(5-6)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1137.98216559; Eh
	21-Jul-2017	TS(4-7)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RM06	6-31G; SDD*	-1137.98774789; Eh
	21-Jul-2017	Int6h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1137.98700502; Eh
	21-Jul-2017	Int7h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RM06	6-31G; SDD*	-1138.03429150; Eh
	14-Jul-2015	Adsorption_of_ClC6H4NO2_on_Lindlar	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-530.38511769; eV
	14-Jul-2015	Adsorption_of_ClC6H4NH2_on_Lindlar	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-527.62904970; eV
	14-Jul-2015	Adsorption_of_ClC6H4NH2_on_Pt(111)	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-532.51116317; eV
	14-Jul-2015	Adsorption_of_ClC6H4NH2_on_c-Pt	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-1724.16014645; eV
	21-Jul-2017	TS(4-12)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1137.99042944; Eh
	21-Jul-2017	Int5h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1138.00490486; Eh

Results 21-30 of 91622 (Search time: 0.002 seconds).