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

Search

previous
1
...
1120
1121
1122
1123
1124
1125
1126
...
1236
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 xegacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1398.35325374; Eh
	9-Nov-2018	/vacuum/complexes xefecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1520.19216072; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-980.3032279; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2580.1005367; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-555.1497565; Eh
	9-Nov-2018	/noDisp/complexes sin-fpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-571.0183685; Eh
	9-Nov-2018	/noDisp/complexes sin-fticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1539.0483896; Eh
	9-Nov-2018	/noDisp/complexes sin-fmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-429.7992354; Eh
	9-Nov-2018	/vacuum/complexes xeaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1531.91563367; Eh
	9-Nov-2018	/vacuum/complexes xeaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-244.165371119; Eh

Results 11221-11230 of 12354 (Search time: 0.008 seconds).