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

Search

previous
1
...
415
416
417
418
419
420
421
...
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-scnZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2839.5523578; Eh
	9-Nov-2018	/noDisp/complexes sin-scnoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-807.0331448; Eh
	9-Nov-2018	/noDisp/complexes sin-sauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-877.2067725; Eh
	9-Nov-2018	/water//water complexes aq-brwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-647.5070947; Eh
	9-Nov-2018	/noDisp/complexes sin-henbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-283.6137245; Eh
	9-Nov-2018	/water//water complexes aq-brtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-230.1255487; Eh
	9-Nov-2018	/noDisp/complexes sin-hefecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1507.7126741; Eh
	9-Nov-2018	/noDisp/complexes sin-h2wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-635.0717335; Eh
	9-Nov-2018	/vacuum/complexes imidazolmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-555.929562545; Eh
	9-Nov-2018	/noDisp/complexes sin-sfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-975.4947071; Eh

Results 4171-4180 of 12842 (Search time: 0.005 seconds).