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

Search

previous
1
...
1438
1439
1440
1441
1442
1443
1444
...
10459
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-piridinapdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-719.4107031; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinanbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-529.0395298; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinaoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-563.8867881; Eh
	9-Nov-2018	/noDisp/complexes sin-scnauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-970.0149808; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinafeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-825.6100341; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinafecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1292.4598932; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinaircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1152.2060624; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinamno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-577.9785536; Eh
	9-Nov-2018	/water//water complexes aq-brniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-527.6738028; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinak	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-276.4745886; Eh

Results 14401-14410 of 104583 (Search time: 0.01 seconds).