Physical Chemistry and Inorganic Chemistry
Department
MARTIN
JARAIZ MALDONADO
PROFESOR EMERITO
Publications by the researcher in collaboration with MARTIN JARAIZ MALDONADO (8)
2022
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Hydrogen Bonding in the Dimer and Monohydrate of 2-Adamantanol: A Test Case for Dispersion-Corrected Density Functional Methods
Molecules (Basel, Switzerland), Vol. 27, Núm. 8
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Torsional chirality and molecular recognition: the homo and heterochiral dimers of thenyl and furfuryl alcohol
Physical Chemistry Chemical Physics, Vol. 24, Núm. 15, pp. 8999-9006
2021
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Molecular Rotation Spectrum of Tetracyclic Quinolizidines: Observation of trans-Matrine and the Elusive cis-Matrine
Journal of Organic Chemistry, Vol. 86, Núm. 2, pp. 1861-1867
2019
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An Efficient Microkinetic Modeling Protocol: Start with only the Dominant Mechanisms, Adjust All Parameters, and Build the Complete Model Incrementally
ACS Catalysis, Vol. 9, Núm. 6, pp. 4804-4809
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Rotational Spectrum, Tunneling Motions, and Intramolecular Potential Barriers in Benzyl Mercaptan
Journal of Physical Chemistry A, Vol. 123, Núm. 39, pp. 8435-8440
2018
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Sulfur Hydrogen Bonding in Isolated Monohydrates: Furfuryl Mercaptan versus Furfuryl Alcohol
Chemistry - A European Journal, Vol. 24, Núm. 25, pp. 6564-6571
2017
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A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene
Journal of Organic Chemistry, Vol. 82, Núm. 7, pp. 3760-3766
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Rotational spectra of tetracyclic quinolizidine alkaloids: Does a water molecule flip sparteine?
Physical Chemistry Chemical Physics, Vol. 19, Núm. 27, pp. 17553-17559