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Doubling the power of DP4 for computational structure elucidation

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

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Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions

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Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94

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Merck molecular force field. IV. conformational energies and geometries for MMFF94

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Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules

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MMFF VI. MMFF94s option for energy minimization studies

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MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries

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Ab initio molecular orbital theory

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