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

Search

previous
1
...
623
624
625
626
627
628
629
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes shauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-877.777809857; Eh
	9-Nov-2018	/vacuum/complexes sih3-ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-910.005780703; Eh
	9-Nov-2018	/vacuum/complexes pf3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1544.88260560; Eh
	9-Nov-2018	/vacuum/complexes sime3cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-776.170508649; Eh
	9-Nov-2018	/vacuum/complexes pf3rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1132.57126044; Eh
	9-Nov-2018	/vacuum/complexes pme3conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-888.894814901; Eh
	9-Nov-2018	/vacuum/complexes sih3-mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1555.94352987; Eh
	9-Nov-2018	/vacuum/complexes sfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1442.73913000; Eh
	9-Nov-2018	/vacuum/complexes pme3fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1505.28184039; Eh
	9-Nov-2018	/vacuum/complexes sih3-feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-868.711534279; Eh

Results 6251-6260 of 12842 (Search time: 0.006 seconds).