1. Institute of Chemical Research of Catalonia

Browsing by Author Fako, Edvin

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Showing results 2087 to 2106 of 2304 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Apr-2020Pd111_orth_small-reverseFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--100.75613826; eV
thumbnail.jpeg24-Apr-2020Pd111_orth_small-topFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.22317779; eV
thumbnail.jpeg11-Feb-2019Pd2AlilCl3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--105.49087940; eV
thumbnail.jpeg11-Feb-2019Pd3Ac6Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--273.04297484; eV
thumbnail.jpeg3-Nov-2017Pd_atomFako, Edvinvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---1.50156387; eV
thumbnail.jpeg30-Jan-2018Pd_atomFako, Edvinvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---1.50156387; eV
thumbnail.jpeg11-Feb-2019PdAminoNitrateFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--134.25388727; eV
thumbnail.jpeg23-Apr-2020PdB_5x5_dosFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--544.56292018; eV
thumbnail.jpeg30-Jan-2018PdCl2_molecFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---7.64646806; eV
thumbnail.jpeg3-Nov-2017PdTPP2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---449.74013221; eV
thumbnail.jpeg3-Nov-2017PdTPP4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---895.27793215; eV
thumbnail.jpeg3-Nov-2017Ph-_B_-OHFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---140.08042040; eV
thumbnail.jpeg3-Nov-2017Ph-_B_-OH_2_H2OFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---170.03125961; eV
thumbnail.jpeg3-Nov-2017Ph-BrFako, Edvinvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---74.00729242; eV
thumbnail.jpeg3-Nov-2017Ph-PhFako, Edvinvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---145.04101725; eV
thumbnail.jpeg30-Jan-2018PHIFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---3137.57596899; eV
thumbnail.jpeg30-Jan-2018PHI_Cl2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---3148.11955301; eV
thumbnail.jpeg30-Jan-2018PHI_Mg_Cl2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---3149.56901047; eV
thumbnail.jpeg31-Jan-2018PHI_sFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---3140.92615911; eV
thumbnail.jpeg30-Jan-2018PHI_subFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---3141.10762171; eV
Showing results 2087 to 2106 of 2304 < previous   next >