Browsing by Author Jover Modrego, Jesús

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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegAcetonitrileJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2SVP-132.665080875; Eh
thumbnail.jpegAnilineJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01UB3LYPDEF2SVP-287.421518073; Eh
thumbnail.jpegatfmsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01RB3LYPTZVP-853.340617254; Eh
thumbnail.jpegatfms_9BBN_amJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01RB3LYPTZVP-1192.26077870; Eh
thumbnail.jpegatfms_9BBN_mJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01RB3LYPTZVP-1192.26022305; Eh
thumbnail.jpegatfmsCOO_CsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01RB3LYPTZVP DEF2SVP GEN-1062.86937164; Eh
thumbnail.jpeg/C6F5_Bpin/Bpin_real C6F5-BpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-31G* GEN-1139.10152530; Eh
thumbnail.jpeg/C6F5_Bpin/Bpin_real Cu_phen_F_C6F5-BpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-31G* SDD GEN-2008.06325986; Eh
thumbnail.jpeg/C6F5_Bpin/Bpin_real F-BpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-31G* GEN-511.200235561; Eh
thumbnail.jpeg/C6F5_Bpin/Bpin_real TMTS_C6F5-BpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-31G* SDD GEN-2008.04676608; Eh
thumbnail.jpeg/C6F5_Bpin/Bpin_real/large_basis_sets C6F5-BpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-311+G** GEN-1139.4667233; Eh
thumbnail.jpeg/C6F5_Bpin/Bpin_real/large_basis_sets Cu_phen_F_C6F5-BpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-311+G** GEN-2008.6090826; Eh
thumbnail.jpeg/C6F5_Bpin/Bpin_real/large_basis_sets F-BpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-311+G** GEN-511.3615474; Eh
thumbnail.jpeg/C6F5_Bpin/Bpin_real/large_basis_sets TMTS_C6F5-BpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-311+G** GEN-2008.5962086; Eh
thumbnail.jpeg/C6F5_Bpin/mMe_PhI C6F5Ph-mMePhJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-31G* GEN-998.768923539; Eh
thumbnail.jpeg/C6F5_Bpin/mMe_PhI Cu_Phen_C6F5_mMePhIJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-31G* SDD GEN-1779.27072365; Eh
thumbnail.jpeg/C6F5_Bpin/mMe_PhI Cu_Phen_C6F5mMePh_IJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-31G* SDD GEN-1779.35147030; Eh
thumbnail.jpeg/C6F5_Bpin/mMe_PhI OATSJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-31G* SDD GEN-1779.23218698; Eh
thumbnail.jpeg/C6F5_Bpin/mMe_PhI/large_basis_sets C6F5Ph-mMePhJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-311+G** GEN-999.0853054; Eh
thumbnail.jpeg/C6F5_Bpin/mMe_PhI/large_basis_sets Cu_Phen_C6F5_mMePhIJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03RB3LYP6-311+G** GEN-2064.1270497; Eh