Browsing by Author Sanchez Pladevall, Bruna

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required1-Apr-20221aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GENECP-243.036086302; Eh
Login required1-Apr-20222aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GENECP-420.905808109; Eh
Login required1-Apr-2022CNpySanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GENECP-340.533934275; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-dma9-bq-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-999.920409470; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-dma9-bq-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-999.926051962; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-dma9-ma-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-997.756855744; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-dma9-ma-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-997.769678475; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-h9-bq-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-921.264993146; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-h9-bq-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-921.271336349; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-h9-ma-b3lyp-bSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-919.115609111; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-h9-ma-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-919.102088005; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-h9-ma-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-919.115609116; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-ma9-bq-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-960.593371514; 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 add-ma9-ma-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-958.443257240; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder bq-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-381.568925294; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder bq-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-381.574007256; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder dma9-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-618.327596744; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder dma9-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-618.330124589; Eh