Departament
QUÍMICA FÍSICA
Aportaciones congreso (9) Publicaciones en las que ha participado algún/a investigador/a
2004
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A theoretical study of neutral and reduced tetracyano-p-quinodimethane (TCNQ)
Journal of Molecular Structure: THEOCHEM
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Ab initio molecular orbital study of the substituent effect on ammonia and phosphine-borane complexes
Journal of Molecular Structure: THEOCHEM
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An improved force field for O 2, CO and CN binding to metalloporphyrins
Journal of Inclusion Phenomena
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Bonding and compressibility in molecular and polymeric phases of solid CO2
Journal of Physics Condensed Matter
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Effect of type, size and deformation on the polarizability of carbon nanotubes from atomic increments
Nanotechnology
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Electrostatic effects in enzyme catalysis: A quantum mechanics/molecular mechanics study of the nucleophilic substitution reaction in haloalkane dehalogenase
Theoretical Chemistry Accounts
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Nature of O2, CO, and CN binding to hemoprotein models
International Journal of Quantum Chemistry
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Singular points of electrochemical impedance function
Applied Surface Science
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Table of periodic properties of fullerenes based on structural parameters
Journal of Molecular Structure: THEOCHEM