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

Search

previous
1
...
738
739
740
741
742
743
744
...
1327
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 fticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1539.05276539; Eh
	9-Nov-2018	/vacuum/complexes h2ofeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-653.734932691; Eh
	9-Nov-2018	/vacuum/complexes fenilrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-723.840309093; Eh
	9-Nov-2018	/vacuum/complexes fenilfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-809.042812613; Eh
	9-Nov-2018	/vacuum/complexes h2alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1624.40649757; Eh
	9-Nov-2018	/vacuum/complexes h2ocro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-389.132122855; Eh
	9-Nov-2018	/vacuum/complexes frhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-591.990587585; Eh
	9-Nov-2018	/vacuum/complexes fpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-914.715174456; Eh
	9-Nov-2018	/vacuum/complexes fenilticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1670.79595962; Eh
	9-Nov-2018	/vacuum/complexes h2cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-313.843500027; Eh

Results 7401-7410 of 13266 (Search time: 0.006 seconds).