1. Institute of Chemical Research of Catalonia

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Showing results 68668 to 68687 of 93567 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Mar-2023PEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-4347.45168055; Eh
thumbnail.jpeg28-Nov-2024PEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-3123.99157086; Eh
thumbnail.jpeg14-Jul-2015P0Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-40.4888420984; Eh
thumbnail.jpeg29-Jan-2016P0-7+_in_P-6_(Freq)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5146.12337337; Eh
thumbnail.jpeg29-Jan-2016P0-7+_in_P-6_(Opt)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-5146.12337337; Eh
thumbnail.jpeg21-Oct-2016p1García Muelas, RodrigoGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg18-Jul-2018P1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*; lanl2dz-4608.22917600; Eh
thumbnail.jpeg14-Jul-2015P1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-79.7699232147; Eh
thumbnail.jpeg7-Jul-2020P1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-1222.03856755; Eh
thumbnail.jpeg4-Sep-2023P1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-1100.66405845; Eh
thumbnail.jpeg20-Sep-2024P1Martí Zaragoza, ÀlexGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPGEN-4041.82111951; Eh
thumbnail.jpeg29-Jul-2024P1aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GEN-288.770902523; Eh
thumbnail.jpeg29-Jul-2024P1bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GEN-288.772590216; Eh
thumbnail.jpeg29-Jul-2024P1cGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GEN-288.736668147; Eh
thumbnail.jpeg21-Oct-2016p2García Muelas, RodrigoGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg18-Jul-2018P2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4647.51422901; Eh
thumbnail.jpeg14-Jul-2015P2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-119.054144216; Eh
thumbnail.jpeg7-Jul-2020P2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-1222.03394520; Eh
thumbnail.jpeg20-Sep-2024P2Martí Zaragoza, ÀlexGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPGEN-4041.81681885; Eh
thumbnail.jpeg29-Jul-2024P2aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GEN-477.344290919; Eh
Showing results 68668 to 68687 of 93567 < previous   next >