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Molecular structure
Probability density function
Quantum theory
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Computer simulation
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Density functional theory
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Activation energy
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Hydrogen bonds
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Isomers
4
Molecular dynamics
4
Solutions
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Solvation
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Water
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Addition reactions
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Anharmonicity
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Aromatic compounds
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Atoms
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Azo dyes
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Carboxylic acids
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Catalysis
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Catalyst activity
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Chalcogen
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Charge transfer
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Chemical bonds
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Chorismate mutase
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Computational methods
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Computer Simulation
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Coordination compounds
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Crystalline materials
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Deprotonation
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Dimers
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3por Bazterra, Víctor Eduardo, Oña, Ofelia Beatriz, Caputo, María Cristina, Ferraro, Marta Beatriz, Facelli, Julio César
Publicado 2004 -
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