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

Search

previous
1
...
481
482
483
484
485
486
487
...
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 ph3wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-977.078856864; Eh
	9-Nov-2018	/vacuum/complexes ph3ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1782.01238248; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1535.4762835; Eh
	9-Nov-2018	/noDisp/complexes sin-nchrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-585.0331077; Eh
	9-Nov-2018	/noDisp/complexes sin-ncscunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-857.9287985; Eh
	9-Nov-2018	/noDisp/complexes sin-nchauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-572.1657647; Eh
	9-Nov-2018	/noDisp/complexes sin-iptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-630.1480447; Eh
	9-Nov-2018	/noDisp/complexes sin-nchznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-360.2467702; Eh
	9-Nov-2018	/vacuum/complexes bpinircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1158.13150868; Eh
	9-Nov-2018	/vacuum/complexes bpink	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-282.294881895; Eh

Results 4831-4840 of 12842 (Search time: 0.005 seconds).