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

Search

previous
1
...
1039
1040
1041
1042
1043
1044
1045
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Feb-2022	TpBr3CuNH_Si_s_v1_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8902286; Eh
	20-Nov-2021	cp4-nme2pdph3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-854.518185986; Eh
	20-Nov-2021	aq-cp4-nme2pdph32	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1198.1510718; Eh
	20-Nov-2021	aq-cp4-nme2incl2	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1305.6855309; Eh
	20-Nov-2021	nh3ZrCl5-corr	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-2405.10899773; Eh
	20-Nov-2021	aq-nh3b3lyp	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G GENECP*	-56.5626101; Eh
	20-Nov-2021	aq-nme3incl2	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1096.7441004; Eh
	20-Nov-2021	nh3oso3-corr	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-372.075677212; Eh
	11-Feb-2022	TpBr3CuNH_v2_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	DEF2TZVP DEF2QZVP GEN	-26380.7558562; Eh
	20-Nov-2021	pyc4-3-5-me2nh-pdph3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-798.009691354; Eh

Results 10411-10420 of 12842 (Search time: 0.008 seconds).