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

Search

previous
1
...
685
686
687
688
689
690
691
...
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 hcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-313.392990357; Eh
	9-Nov-2018	/vacuum/complexes h2oauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-555.154227358; Eh
	9-Nov-2018	/vacuum/complexes fenilwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-865.645427585; Eh
	9-Nov-2018	/vacuum/complexes h2auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-479.871693644; Eh
	9-Nov-2018	/vacuum/complexes h2ok	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-104.601591062; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-oTs-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1277.52092805; Eh
	9-Nov-2018	/vacuum/complexes h2feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-578.479322285; Eh
	9-Nov-2018	/vacuum/complexes h2ofecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1120.55404770; Eh
	9-Nov-2018	/vacuum/complexes h2nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-281.881462535; Eh
	9-Nov-2018	/vacuum/complexes fpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-571.020656343; Eh

Results 6871-6880 of 12842 (Search time: 0.005 seconds).