CENTER OF INNOVATION IN CHEMISTRY AND ADVANCED MATERIALS
Institute
University of Virginia
Charlottesville, Estados UnidosPublications in collaboration with researchers from University of Virginia (31)
2022
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Competition between In-Plane vs Above-Plane Configurations of Water with Aromatic Molecules: Non-Covalent Interactions in 1,4-Naphthoquinone-(H2O)1-3Complexes
Journal of Physical Chemistry Letters, Vol. 13, Núm. 40, pp. 9510-9516
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The First Stages of Nanomicelle Formation Captured in the Sevoflurane Trimer
Journal of Physical Chemistry Letters, Vol. 13, Núm. 16, pp. 3770-3775
2021
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The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane
Angewandte Chemie - International Edition, Vol. 60, Núm. 31, pp. 16894-16899
2020
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Structural Changes Induced by Quinones: High-Resolution Microwave Study of 1,4-Naphthoquinone
ChemPhysChem, Vol. 21, Núm. 23, pp. 2579-2584
2019
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A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2F2)n⋅⋅⋅(H2O)m
Angewandte Chemie - International Edition, Vol. 58, Núm. 25, pp. 8437-8442
2018
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Exploring the Rich Potential Energy Surface of (H2O)11 and Its Physical Implications
Journal of Chemical Theory and Computation, Vol. 14, Núm. 2, pp. 1141-1153
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Isomerism of the Aniline Trimer
Angewandte Chemie - International Edition, Vol. 57, Núm. 46, pp. 15112-15116
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Quantitative chiral analysis by molecular rotational spectroscopy
Chiral Analysis: Advances in Spectroscopy, Chromatography and Emerging Methods: Second Edition (Elsevier Inc.), pp. 679-729
2017
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Capturing the Elusive Water Trimer from the Stepwise Growth of Water on the Surface of the Polycyclic Aromatic Hydrocarbon Acenaphthene
Journal of Physical Chemistry Letters, Vol. 8, Núm. 23, pp. 5744-5750
2016
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Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism
Science, Vol. 351, Núm. 6279, pp. 1310-1313
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The Conformational Map of Volatile Anesthetics: Enflurane Revisited
Chemistry - A European Journal, Vol. 22, Núm. 28, pp. 9804-9811
2015
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AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal
Journal of Molecular Spectroscopy, Vol. 312, pp. 13-21
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Chiral recognition and atropisomerism in the sevoflurane dimer
Physical Chemistry Chemical Physics, Vol. 17, Núm. 28, pp. 18282-18287
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Molecular structure and chirality detection by fourier transform microwave spectroscopy
Journal of Physical Chemistry Letters, Vol. 6, Núm. 1, pp. 196-200
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Theory vs. experiment for molecular clusters: Spectra of OCS trimers and tetramers
Journal of Chemical Physics, Vol. 142, Núm. 10
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Water-water and water-solute interactions in microsolvated organic complexes
Angewandte Chemie - International Edition, Vol. 54, Núm. 3, pp. 979-982
2014
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Hydrogen bond cooperativity and the three-dimensional structures of water nonamers and decamers
Angewandte Chemie - International Edition, Vol. 53, Núm. 52, pp. 14368-14372
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Probing the Ci-H⋯π weak hydrogen bond in anesthetic binding: The sevoflurane-benzene cluster
Angewandte Chemie - International Edition, Vol. 53, Núm. 12, pp. 3210-3213
2013
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Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer
Chemical Physics Letters, Vol. 571, pp. 1-15
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Effect of aromatic ring fluorination on CH…π interactions: Rotational spectrum and structure of the fluorobenzene…acetylene weakly bound dimer
Physical Chemistry Chemical Physics, Vol. 15, Núm. 41, pp. 18148-18154