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

Search

previous
1
...
470
471
472
473
474
475
476
...
1285
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-srush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2088.3952358; Eh
	3-Oct-2019	ircrev_water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall6	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.30878901; Eh
	9-Nov-2018	/noDisp/complexes sin-h2hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-177.6372888; Eh
	9-Nov-2018	/noDisp/complexes sin-fincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1022.2767433; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomewco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-980.1441016; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomeznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-613.2296895; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomenbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-627.0824653; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomemosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1610.8273151; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomeoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-662.2581654; Eh
	3-Oct-2019	water_sp2_ts_pdpme32_c_transnoulliu_fromDMF	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28384252; Eh

Results 4721-4730 of 12842 (Search time: 0.005 seconds).