Search Results - "Quesada Moreno, María Mar"

Unlocking the Water Trimer Loop: Isotopic Study of Benzophenone‐(H2O)1–3 Clusters with Rotational Spectroscopy by Li, Weixing, Quesada‐Moreno, María Mar, Pinacho, Pablo, Schnell, Melanie

“…Examined here are the structures of complexes of benzophenone microsolvated with up to three water molecules by using broadband rotational spectroscopy and the…”
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Do Docking Sites Persist Upon Fluorination? The Diadamantyl Ether‐Aromatics Challenge for Rotational Spectroscopy and Theory by Quesada‐Moreno, María Mar, Pinacho, Pablo, Pérez, Cristóbal, Šekutor, Marina, Schreiner, Peter R., Schnell, Melanie

“…Fluorinated derivatives of biological molecules have proven to be highly efficient at modifying the biological activity of a given protein through changes in…”
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Color‐Tunable Luminescence of Eu‐Doped LaF3 Particles Sensitized by d–f Energy Transfer from a Two‐Photon Absorbing Ir(III) Complex by Ye, Yating, Jiménez, Juan‐Ramón, Quesada‐Moreno, María Mar, Navarro, Amparo, Ortega‐Naranjo, Esther M., Orte, Angel, Herrera, Juan Manuel

“…The surface of Eu0.3La0.7F3 submicron particles is functionalized with a blue‐emitting Ir(III) complex (1) specifically designed to coordinate lanthanide(III)…”
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Structure Determination, Conformational Flexibility, Internal Dynamics, and Chiral Analysis of Pulegone and Its Complex with Water by Krin, Anna, Pérez, Cristóbal, Pinacho, Pablo, Quesada‐Moreno, María Mar, López‐González, Juan Jesús, Avilés‐Moreno, Juan Ramón, Blanco, Susana, López, Juan Carlos, Schnell, Melanie

“…In the current work we present a detailed analysis of the chiral molecule pulegone, which is a constituent of essential oils, using broadband rotational…”
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Chiral Recognition of Amino Acid Enantiomers by a Crown Ether: Chiroptical IR-VCD Response and Computational Study by Avilés-Moreno, Juan Ramón, Quesada-Moreno, María Mar, López-González, Juan Jesús, Martínez-Haya, Bruno

“…We report on a combined experimental and computational study of the chiral recognition of the amino acid serine in protonated form (l/d-SerH+), by the crown…”
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Conformational Flexibility of Limonene Oxide Studied By Microwave Spectroscopy by Loru, Donatella, Quesada‐Moreno, María Mar, Avilés‐Moreno, Juan Ramón, Jarman, Natasha, Huet, Thérèse R., López‐González, Juan Jesús, Sanz, M. Eugenia

“…Monoterpenoids are biogenic volatile organic compounds that play a major role in atmospheric chemistry by participating in the formation of aerosols. In this…”
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Conformational Preference and Chiroptical Response of Carbohydrates d‑Ribose and 2‑Deoxy‑d‑ribose in Aqueous and Solid Phases by Quesada-Moreno, María Mar, Azofra, Luis Miguel, Avilés-Moreno, Juan Ramón, Alkorta, Ibon, Elguero, José, López-González, Juan Jesús

“…This work targets the structural preferences of d-ribose and 2-deoxy-d-ribose in water solution and solid phase. A theoretical DFT (B3LYP and M06-2X) and MP2…”
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Understanding the Aldo-Enediolate Tautomerism of Glycolaldehyde in Basic Aqueous Solutions by Azofra, Luis Miguel, Quesada-Moreno, María Mar, Alkorta, Ibon, Avilés-Moreno, Juan Ramón, Elguero, José, López-González, Juan Jesús

“…The biochemically important interconversion process between aldoses and ketoses is assumed to take place via 1,2‐enediol or 1,2‐enediolate intermediates, but…”
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London Dispersion and Hydrogen‐Bonding Interactions in Bulky Molecules: The Case of Diadamantyl Ether Complexes by Quesada Moreno, María Mar, Pinacho, Pablo, Pérez, Cristóbal, Šekutor, Marina, Schreiner, Peter R., Schnell, Melanie

“…Diadamantyl ether (DAE, C20H30O) represents a good model to study the interplay between London dispersion and hydrogen‐bond interactions. By using broadband…”
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Unexpected discovery of estrone in the rotational spectrum of estradiol: a systematic investigation of a CP-FTMW spectrum by Pinacho, Pablo, Caliebe, Swantje V M, Quesada-Moreno, María Mar, Zinn, Sabrina, Schnell, Melanie

“…We report the reinvestigation of the high-resolution rotational spectrum of estradiol. After removing the known spectral lines corresponding to three…”
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A Scent of Peppermint—A Microwave Spectroscopy Analysis on the Composition of Peppermint Oil by Krin, Anna, Quesada Moreno, María Mar, Pérez, Cristóbal, Schnell, Melanie

“…Essential oils have a vast number of applications in different areas of our daily life. Detailed chiral analysis and structural characterization of their…”
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Conformational landscape of l-threonine in neutral, acid and basic solutions from vibrational circular dichroism spectroscopy and quantum chemical calculations by Quesada-Moreno, María Mar, Márquez-García, Ana África, Avilés-Moreno, Juan Ramón, López-González, Juan Jesús

“…Conformational stability and chiroptical properties of l-Threo at different pH. The biological relevance of amino acids is well known. They can be used as…”
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Zero-Field SMM Behavior Triggered by Magnetic Exchange Interactions and a Collinear Arrangement of Local Anisotropy Axes in a Linear Co3 II Complex by Zabala-Lekuona, Andoni, Landart-Gereka, Aritz, Quesada-Moreno, María Mar, Mota, Antonio J., Díaz-Ortega, Ismael F., Nojiri, Hiroyuki, Krzystek, Jurek, Seco, José M., Colacio, Enrique

“…A new linear trinuclear Co­(II)3 complex with a formula of [{Co­(μ-L)}2Co] has been prepared by self-assembly of Co­(II) ions and the N3O3-tripodal Schiff base…”
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Conformational aspects of polymorphs and phases of 2-propyl-1H-benzimidazole by Zuniga, Fco. Javier, Cruz-Cabeza, Aurora J, Aretxabaleta, Xabier M, Pinta, Noelia de la, Breczewski, Tomasz, Quesada-Moreno, Maria Mar, Aviles-Moreno, Juan Ramon, Lopez-Gonzalez, Juan Jesus, Claramunt, Rosa M, Elguero, Jose

“…This paper reports on the polymorphism of 2-propyl-1H-benzimidazole (2PrBzIm) induced by temperature change. Upon heating, an irreversible reconstructive-type…”
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Unlocking the Water Trimer Loop: Isotopic Study of Benzophenone‐(H2O)1–3 Clusters with Rotational Spectroscopy by Li, Weixing, Quesada‐Moreno, María Mar, Pinacho, Pablo, Schnell, Melanie

“…Examined here are the structures of complexes of benzophenone microsolvated with up to three water molecules by using broadband rotational spectroscopy and the…”
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The Curious Case of 2‑Propyl‑1H‑benzimidazole in the Solid State: An Experimental and Theoretical Study by Quesada-Moreno, María Mar, Cruz-Cabeza, Aurora J, Avilés-Moreno, Juan Ramón, Cabildo, Pilar, Claramunt, Rosa M, Alkorta, Ibon, Elguero, José, Zúñiga, Francisco J, López-González, Juan Jesús

“…2-Propyl-1H-benzimidazole (2PrBzIm) is a small molecule, commercially available, which displays a curious behavior in the solid state. 2PrBzIm, although devoid…”
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Structural behavior of neutral, protonated, and deprotonated l-valine in aqueous solutions: a combined study using chirality sensitive (VCD) and non sensitive (IR and Raman) vibrational spectroscopies and quantum chemical calculations by Quesada-Moreno, María Mar, Avilés-Moreno, Juan Ramón, López-González, Juan Jesús

“…Structural behavior of l-valine at different pH. [Display omitted] The aim of this study is to better understand the conformational preference of l-valine…”
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Cover Picture: Conformational Flexibility of Limonene Oxide Studied By Microwave Spectroscopy (ChemPhysChem 3/2017) by Loru, Donatella, Quesada‐Moreno, María Mar, Avilés‐Moreno, Juan Ramón, Jarman, Natasha, Huet, Thérèse R., López‐González, Juan Jesús, Sanz, M. Eugenia

“…The Front Cover picture summarizes the five identified conformers of limonene oxide and shows the relevance of terpenes (such as limonene and their oxidation…”
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Conformational Flexibility of Limonene Oxide Studied By Microwave Spectroscopy by Loru, Donatella, Quesada‐Moreno, María Mar, Avilés‐Moreno, Juan Ramón, Jarman, Natasha, Huet, Thérèse R., López‐González, Juan Jesús, Sanz, M. Eugenia

“…The front cover artwork is provided by the groups of Prof. J.J. López‐González (University of Jaen, Spain), Prof. T.R. Huet (University of Lille, France), and…”
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Chiral self-assembly of enantiomerically pure (4S,7R)-campho[2,3-c]pyrazole in the solid state: a vibrational circular dichroism (VCD) and computational study by Quesada-Moreno, María Mar, Avilés-Moreno, Juan Ramón, López-González, Juan Jesús, Claramunt, Rosa María, López, Concepción, Alkorta, Ibon, Elguero, José

“…‘Chiral self-assembly of optically pure (4S,7R)-campho[2,3-c]pyrazole in the solid state.’ NH-Indazoles in solid phase usually form NH⋯N hydrogen bonds between…”
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