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

Search

previous
1
...
1574
1575
1576
1577
1578
1579
1580
...
10452
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-fmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1364.548901; Eh
	9-Nov-2018	/vacuum/complexes xefecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1520.35016481; Eh
	9-Nov-2018	/noDisp/complexes sin-falcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1723.2712215; Eh
	9-Nov-2018	/vacuum/complexes xecucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-305.745126763; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-598.50544; Eh
	9-Nov-2018	/noDisp/complexes sin-feniltame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-448.2989097; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-504.0966693; Eh
	9-Nov-2018	/vacuum/complexes xecrh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-484.165742926; Eh
	9-Nov-2018	/noDisp/complexes sin-fwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-733.8605119; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ok	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-104.6004538; Eh

Results 15761-15770 of 104515 (Search time: 0.011 seconds).