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机译:
Lawrence Livermore Natl Lab, Livermore, CA 94550 USA;
CORRELATED MOLECULAR CALCULATIONS; SET MODEL CHEMISTRY; ZERO-POINT ENERGIES; GAUSSIAN-BASIS SETS; THERMOCHEMICAL KINETICS; 2ND-ROW COMPOUNDS; WAVE-FUNCTIONS; 1ST-ROW ATOMS; RECOMBINATION; GEOMETRIES;
机译:Bond valence sums in coordination chemistry. A simple method for calculating the oxidation state of cobalt in complexes containing only Co-O bonds
机译:Bond Energies of the Hydrocarbons: Corrections Yielding Additivity
机译:On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond
机译:Quantum Chemistry Codic CP2K中近似矩阵函数评估的基于子矩阵的方法
机译:standardization of the heart-to-mediastinum ratio of 123I-labelled-metaiodobenzylguanidine uptake using the dual energy window method: feasibility of correction with different camera-collimator combinations