Browsing by Author Alegre Requena, Juan Vicente

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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegAQME_workflowAlegre Requena, Juan VicenteGaussian; 16; EM64L-G16RevA.03UwB97XD6-31+G(D)-0.500262173673; Eh
thumbnail.jpegGoodVibes_thermochemistry_and_molecular_coordinatesAlegre Requena, Juan VicenteGaussian; 09; IA32W-G09RevA.02---
thumbnail.jpeghydrazide_a_(3c)Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevB.01RwB97XD6-31+G(D,P)-660.616590716; Eh
thumbnail.jpegInt-I_16Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-2631.71906554; Eh
thumbnail.jpegNO2styrene_(4a)Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevB.01RwB97XD6-31+G(D,P)-514.022917458; Eh
thumbnail.jpegQNH-CO2Ph-hydraz_12_(1a···3c)Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-2117.67483881; Eh
thumbnail.jpegQNH-CO2Ph_1_(1a)Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-1457.02824312; Eh
thumbnail.jpegR-Int-II_6Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-2631.71536663; Eh
thumbnail.jpegR-Int-III_21Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-2631.71355332; Eh
thumbnail.jpegR-Int-IV_2Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-2631.73486419; Eh
thumbnail.jpegR-Product_g_(5ca)Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevB.01RwB97XD6-31+G(D,P)-1174.66934015; Eh
thumbnail.jpegR-TS-I_24Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-2631.69661814; Eh
thumbnail.jpegR-TS-II_60Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-2631.70740996; Eh
thumbnail.jpegR-TS-III_56Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-2631.69433446; Eh
thumbnail.jpegS-TS-I_1Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-2631.69562032; Eh
thumbnail.jpegS-TS-III_4Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D,P)-2631.69347664; Eh
thumbnail.jpegS0-1a_crest_conf_1Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D)-898.689164646; Eh
thumbnail.jpegS0-4_crest_conf_1Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01RwB97XD6-31+G(D)-860.613307758; Eh
thumbnail.jpegT1-1a_crest_conf_1Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01UwB97XD6-31+G(D)-898.637425395; Eh
thumbnail.jpegT1-4_crest_conf_1Alegre Requena, Juan VicenteGaussian; 16; ES64L-G16RevC.01UwB97XD6-31+G(D)-860.551215584; Eh
Showing results 1 to 20 of 22