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

Search

previous
1
...
1472
1473
1474
1475
1476
1477
1478
...
10459
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-tiofenoyh2o5_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-972.6369144; Eh
	9-Nov-2018	/noDisp/complexes sin-smehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-614.6830153; Eh
	9-Nov-2018	/noDisp/complexes sin-xefecl3-bai_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1520.3291334; Eh
	9-Nov-2018	/vacuum/complexes h2sticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1838.24789016; Eh
	9-Nov-2018	/noDisp/complexes sin-xenbnh24_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-296.2295059; Eh
	9-Nov-2018	/noDisp/complexes sin-xeZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2364.0228003; Eh
	9-Nov-2018	/noDisp/complexes sin-tiofenofecl2sextup_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1597.1272754; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-676.3266348; Eh
	9-Nov-2018	/noDisp/metal_frag sin-auph3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-478.6693; Eh
	9-Nov-2018	/noDisp/complexes sin-xecrh2o5trip_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-484.1497952; Eh

Results 14741-14750 of 104583 (Search time: 0.011 seconds).