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chemical structure
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calculation
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chemistry
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unclassified drug
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proton nuclear magnetic resonance
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Models, Molecular
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Molecular Structure
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density
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electricity
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energy
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Models, Chemical
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Quantum Theory
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controlled study
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density functional theory
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quantum theory
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theory
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DFT calculation
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Fourier transform infrared spectroscopy
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NMR
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Stereoisomerism
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X ray crystallography
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chemical binding
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chemical model
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complex formation
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conformation
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geometry
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hydrogen bond
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3Publicado 2005Materias: “...calculation...”
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17Publicado 2001Materias: “...calculation...”
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