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

Search

previous
1
...
1520
1521
1522
1523
1524
1525
1526
...
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-shmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-728.750547; Eh
	9-Nov-2018	/noDisp/complexes sin-scnfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1995.8404088; Eh
	9-Nov-2018	/noDisp/complexes sin-sniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-912.2316929; Eh
	9-Nov-2018	/noDisp/complexes sin-sfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1902.7512983; Eh
	9-Nov-2018	/noDisp/complexes sin-scnfecl2sextup_bo	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1535.4486488; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinacro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-561.0255865; Eh
	9-Nov-2018	/noDisp/complexes sin-shircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1302.9174676; Eh
	9-Nov-2018	/noDisp/complexes sin-shfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1443.221614; Eh
	9-Nov-2018	/noDisp/complexes sin-shpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-869.9759371; Eh
	9-Nov-2018	/noDisp/complexes sin-shcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-711.6244619; Eh

Results 15221-15230 of 104583 (Search time: 0.022 seconds).