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

Search

previous
1
2
3
4
5
6
...
10
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/PaperStructures/Adducts Int_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-712.598744597; Eh
	24-Feb-2020	/PaperStructures/Adducts Int_N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-773.548127632; Eh
	24-Feb-2020	/PaperStructures/Adducts A_N_N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-773.545187223; Eh
	24-Feb-2020	/PaperStructures/Adducts Int_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-636.113822802; Eh
	24-Feb-2020	/PaperStructures/Adducts I_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-636.118279666; Eh
	24-Feb-2020	/PaperStructures/Adducts I_N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-697.073287438; Eh
	24-Feb-2020	/PaperStructures/Adducts I_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-559.639118313; Eh
	24-Feb-2020	/PaperStructures/Adducts I_N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-773.554713027; Eh
	24-Feb-2020	/PaperStructures/Adducts I_W_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-712.599349142; Eh
	24-Feb-2020	/PaperStructures/Adducts I_N_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-850.037095890; Eh

Results 21-30 of 98 (Search time: 0.001 seconds).