Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2017H2OFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-76.4360937673; Eh
thumbnail.jpeg26-Jan-20171bFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-1179.68076259; Eh
thumbnail.jpeg26-Jan-20173bFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-843.134527535; Eh
thumbnail.jpeg26-Jan-2017OHFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-75.9476898532; Eh
thumbnail.jpeg26-Jan-20173b-HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-842.650109707; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-ma9-bq-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-960.599351905; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-ma9-ma-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-958.430160074; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-dma9-ma-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-997.731534465; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-dma9-bq-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-999.889152451; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-ma9-ma-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-958.416699756; Eh
Results 1-10 of 43 (Search time: 0.001 seconds).