Aurora Clark Group

CANS

Database

Title Ab Initio Method Classical Method Force Field Keywords Posted By
La(h2o)9[3+]-9s8p5d4f3g-npa-mod B3LYP water clusters, lanthanide, La Aurora Clark
La(h2o)9[3+]-9s8p5d4f3g-opt B3LYP water clusters, lanthanide, La Aurora Clark
La(h2O)8[3+]-9s8p5d4f3g-opt B3LYP water clusters, lanthanide Aurora Clark
La(h2o)8[3+]6s6p5d4f3g-ano-opt B3LYP La, lanthanide, water clusters Aurora Clark
La(h2O)8[3+]-9s8p5d4f3g-npa-mod B3LYP La, lanthanide, water clusters Aurora Clark
La(h2O)8[3+]-9s8p5d4f-opt B3LYP La, lanthanide, water clusters Aurora Clark
La(h2o)9[3+]-9s8p5d3f-opt B3LYP La, lanthanide, water clusters Aurora Clark
La(h2O)8[3+]-9s8p5d3f-opt B3LYP La, lanthanide, water clusters Aurora Clark
La(h2O)8[3+]-9s7p5d3f-opt B3LYP La, lanthanide, water clusters Aurora Clark
La(h2O)8[3+]-9s6p5d3f-opt B3LYP La, lanthanide, water clusters Aurora Clark
La(h2O)8[3+]-8s6p5d3f-opt B3LYP La, lanthanide, water clusters Aurora Clark
La(h2O)8[3+]-6s6p5d3f-opt B3LYP La, lanthanide, water clusters Aurora Clark
La(h2O)8[3+]-LC-5s4p3d-opt B3LYP La, lanthanide, water clusters Aurora Clark
La(h2O)8[3+]-LC-5s4p3d-npa-mod B3LYP La, lanthanide, water clusters Aurora Clark
Lu(h2o)8[3+]-6s6p5d4f3g-ano-opt B3LYP lanthanide, Lu, water clusters Aurora Clark
Lu(h2o)8[3+]-9s8p5d4f3g-seg-opt B3LYP lanthanide, Lu, water clusters Aurora Clark
Lu(h2o)8[3+]-9s8p5d4f-seg-opt B3LYP lanthanide, Lu, water clusters Aurora Clark
Lu(h2o)8[3+]-9s8p5d3f-seg-opt B3LYP lanthanide, Lu, water clusters Aurora Clark
Lu(h2o)8[3+]-9s7p5d3f-seg-opt B3LYP lanthanide, Lu, water clusters Aurora Clark
Lu(h2o)8[3+]-9s6p5d3f-seg-opt B3LYP lanthanide, Lu, water clusters Aurora Clark
Lu(h2o)8[3+]-8s6p5d3f-seg-opt B3LYP lanthanide, Lu, water clusters Aurora Clark
Lu(h2o)8[3+]-7s6p5d3f-seg-opt B3LYP lanthanide, Lu, water clusters Aurora Clark
Lu(h2o)8[3+]-6s6p5d3f-seg-opt B3LYP lanthanide, Lu, water clusters Aurora Clark
Lu(h2o)8[3+]-LC-5s4p3d-opt B3LYP lanthanide, Lu, water clusters Aurora Clark
Lu(h2o)8[3+]-LC-5s4p3d-npa-mod B3LYP lanthanide, Lu, water clusters Aurora Clark

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