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

Search

previous
1
...
12
13
14
15
16
17
18
...
21
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Mar-2018	Styrene	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311+G**	-309.616404607; Eh
	8-Mar-2018	Indolate	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311+G**	-363.255727345; Eh
	8-Mar-2018	PyCl	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311+G**	-707.871622305; Eh
	8-Mar-2018	Cl-	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311+G**	-460.342256873; Eh
	30-May-2021	/benchmarking/wB97X_D_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-5079.2464923; Eh
	30-May-2021	/benchmarking/wB97X_D_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-8026.0897768; Eh
	30-May-2021	/benchmarking/wB97X_D_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-3258.8386869; Eh
	30-May-2021	/benchmarking/wB97X_D_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-312.021771; Eh
	10-Jul-2023	cat_BAr4F_7enol	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) LANL2DZ GENECP	-6361.4206886; Eh
	10-Jul-2023	i4BAr4F_1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D) LANL2DZ GENECP	-6361.4006804; Eh

Results 141-150 of 205 (Search time: 0.002 seconds).