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Showing results 19003 to 19022 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Apr-2020HCO_on_Au_of_AuIslandChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-onlyGeometry optimizationDFT--555.23745311; eV
thumbnail.jpeg27-Apr-2020HCO_on_O_of_AuIslandChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-onlyGeometry optimizationDFT--554.38182898; eV
thumbnail.jpeg27-Apr-2020HCO_on_Pb_of_AuIslandChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-onlyGeometry optimizationDFT--554.51385530; eV
thumbnail.jpeg19-Jun-2023/HCOO-stabilization PdMLPt(111)-(3x3)-Clean-H-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--287.87278296; eV
thumbnail.jpeg19-Jun-2023/HCOO-stabilization PdMLPt(111)-(3x3)-Clean-HCOODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--287.65763138; eV
thumbnail.jpeg19-Jun-2023/HCOO-stabilization PdMLPt(111)-(3x3)-far-K-5H2O-H-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.61922453; eV
thumbnail.jpeg19-Jun-2023/HCOO-stabilization PdMLPt(111)-(3x3)-far-K-5H2O-HCOODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.48379173; eV
thumbnail.jpeg19-Jun-2023/HCOO-stabilization PdMLPt(111)-(3x3)-near-K-5H2O-H-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.74535521; eV
thumbnail.jpeg19-Jun-2023/HCOO-stabilization PdMLPt(111)-(3x3)-near-K-5H2O-HCOODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.50524342; eV
thumbnail.jpeg9-Dec-2021hcoo_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-189.383533484; Eh
thumbnail.jpeg9-Dec-2021hcoo_6311+Gd_ch2cl2Morán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-189.358525446; Eh
thumbnail.jpeg27-Apr-2020HCOO_on_Au_of_AuIslandChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-onlyGeometry optimizationDFT--561.02591577; eV
thumbnail.jpeg27-Apr-2020HCOO_on_O_of_AuIslandChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-onlyGeometry optimizationDFT--563.44285875; eV
thumbnail.jpeg27-Apr-2020HCOO_on_Pb_of_AuIslandChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-onlyGeometry optimizationDFT--587.86863514; eV
Login required2-Mar-2023hcooh_gas_phaseNaeem, Muhammad Saadvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--29.89450178; eV
thumbnail.jpeg22-Feb-2021hdin_frq_nch1Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--640.49068911; eV
thumbnail.jpeg22-Feb-2021hdin_frq_nch1oChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--648.61769609; eV
thumbnail.jpeg22-Feb-2021hdin_frq_nch1ohChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--652.95911590; eV
thumbnail.jpeg22-Feb-2021hdin_frq_nch2Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--645.32689815; eV
thumbnail.jpeg22-Feb-2021hdin_frq_nch2ohChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--655.95618332; eV
Showing results 19003 to 19022 of 63063 < previous   next >