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Gaussian Basis Sets for Crystalline Solids: All-Purpose Basis Set Libraries vs System-Specific Optimizations | Journal of Chemical Theory and Computation
Natural bond orbital (NBO) analysis: Bond orbital/Coefficients/Hybrids... | Download Table
Practical quantum Monte Carlo calculations: QWalk - ppt download
Automatic Generation of Auxiliary Basis Sets | Journal of Chemical Theory and Computation
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Basis set (chemistry) - Wikipedia
Using JCP format
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PDF] Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe | Semantic Scholar
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Enantioselective binding of a lanthanide( iii ) complex to human serum albumin studied by 1 H STD NMR techniques - Organic & Biomolecular Chemistry (RSC Publishing) DOI:10.1039/C1OB05524K
Basis set (chemistry) - Wikipedia
PDF] Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe | Semantic Scholar
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PDF] Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe | Semantic Scholar
Explicitly correlated composite thermochemistry of transition metal species
PDF] Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe | Semantic Scholar
Magnetochemistry | Free Full-Text | DFT Protocol for EPR Prediction of Paramagnetic Cu(II) Complexes and Application to Protein Binding Sites
Automatic Generation of Auxiliary Basis Sets | Journal of Chemical Theory and Computation
PDF] Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe | Semantic Scholar
PDF] The Total Ground State Energies and First Ionization Energies of the Incomplete 3d-Transition Metal-Elements Atoms | Semantic Scholar
Faculty for Chemistry and Pharmacy - Group of Prof. Zipse - Effective Core Potentials (ECP)
Basis Sets and Performance (Lecture 3) - ppt download
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