Química supramolecular (SUPRAMOL)
Publicacions en revistes
- Mandal, P.C.; Chakraborty, M.; Das, S.; Estarellas, C.; Quiñonero, D.; Frontera, A. y Mukhopadhyay, S., "Kinetics and mechanism of the oxidation of hydroxylamine by a {Mn(3)O(4)}(4+) core in aqueous acidic media", "Dalton Transactions", Volum 40, Número 37, Pàgines 9571-9579, 2011. Article.
- Seth, S.K.; Saha, I.; Estarellas, C.; Frontera, A.; Kar, T.; Mukhopadhyay, S., "Supramolecular self-assembly of M-IDA complexes involving lone pair center dot center dot center dot pi interactions: crystal structures, Hirshfield surface analysis, and DFT calculations [H(2)IDA =iminodiacetic acid, M = Cu(II), Ni(II)]", "Crystal Growth & Design", Volum 11, Pàgines 3250-3265, 2011. Article.
- Das, A.; Choudhury, S. R.; Estarellas, C.; Dey, B.; Frontera, A.; Hemming, J.; Helliwell, M.; Gamez, P.; Mukhopadhyay, S., "Supramolecular assemblies involving anion-pi and lone pair-pi interactions: experimental observation and theoretical analysis", "Crystengcomm", Volum 13, Número 14, Pàgines 4519-4527, 2011. Article.
- Quiñonero, D.; López, K.A.; Deyà, P.M.; Piña, M.N.; Morey, J., "Synthetic Tripodal Squaramido-Based Receptors for the Complexation of Antineoplastic Folates in Water.", "European Journal of Organic Chemistry", Volum 2011, Número 31, Pàgines 6187-6194, 2011. Article.
- Estarellas, C.; Frontera, A.; Quiñonero, D. y Deyà, P.M., "Relevant anion-pi interactions in biological systems: the case of Urate Oxidase", "Angewandte Chemie-International Edition", Volum 50, Número 2, Pàgines 415-418, 2011. Article.
- Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M., "Radical cation (C(·+)-pi) and radical anion (A(·-)-pi) interactions with aromatic rings: energetic, orbitalic and spin density considerations", "Physical Chemistry Chemical Physics", Volum 13, Número 37, Pàgines 16698-16705, 2011. Article.
- Bauzá, A.; Quiñonero, D.; Frontera, A.; Deyà, P.M., "Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study", "Physical Chemistry Chemical Physics", Volum 13, Pàgines 20371-20379, 2011. Article.
- Mashraqui, S.H.; Chandiramani, M.A.; Ghorpade, S.S.; Estarellas, C.; Frontera, A., "A highly selective fluorescence turn-on probe for Zn2+ based on new diaryloxadiazole chelate", "Chemistry Letters", Volum 40, Número 10, Pàgines 1163-1164, 2011. Article.
- Estarellas, C.; Frontera, A.; Quiñonero, D. y Deyà, P.M., "Anion-pi Interactions in flavoproteins", "Chemistry-An Asian Journal", Volum 6, Número 9, Pàgines 2316-2318, 2011. Article.
- Frontera, A.; Gamez, P.; Mascal, M.; Mooibroek, T.J. y Reedijk, J., "Putting Anion-pi Interactions Into Perspective", "Angewandte Chemie-International Edition", Volum 50, Número 41, Pàgines 9564-9583, 2011. Review.
- Garau, C.; Frontera, A.; Quiñonero, D.; Russo, N.; Deya, P.M., "RI-MP2 and MPWB1K Study of pi-Anion-pi' Complexes: MPWB1K Performance and Some Additivity Aspects", "Journal Of Chemical Theory And Computation", Volum 50, Número 2, Pàgines 415-418, 2011. Article.
- Estarellas, C.; Frontera, A.; Quiñonero, D. y Deya, P.M., "Theoretical Study on Cooperativity Effects between Anion-pi and Halogen-Bonding Interactions", "Chemphyschem", Volum 12, Número 15, Pàgines 2742-2750, 2011. Article.
- Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M., "Unexpected nonadditivity effects in anion-pi complexes", "Journal of Physical Chemistry A", Volum 115, Número 16, Pàgines 7849-7857, 2011. Article.
- Quiñonero, D.; Estarellas, C.; Frontera, A.; Deyà, P.M., "A methodological analysis for the assessment of noncovalent pi interactions", "Chemical Physics Letters", Volum 508, Pàgines 144-148, 2011. Article.
- Biswas, R.; Drew, M.G.B.; Estarellas, C.; Frontera, A. y Ghosh, A., "Synthesis and crystal structures of mu-oxido- and mu-hydroxido-bridged dinuclear iron(III) complexes with an N2O donor ligand - a theoretical study on the influence of weak forces on the Fe-O-Fe bridging angle", "European Journal of Inorganic Chemistry", Volum 2011, Número 16, Pàgines 2558-2566, 2011. Article.
- Frontera, A.; Quiñonero, D.; Deyà, P.M., "Cation-pi and anion-pi interactions", "Wiley Interdisciplinary Reviews-Computational Molecular Science", Volum 1, Pàgines 440-459, 2011. Article.
- Estarellas, C.; Bauzá, A.; Frontera, A.; Quiñonero, D.; Deyà, P.M., "On the directionality of anion-pi interactions", "Physical Chemistry Chemical Physics", Volum 13, Pàgines 5696-5702, 2011. Article.
- Estarellas, C.; Frontera, A.; Quiñonero, D. y Deyà, P.M., "Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π¿π interactions", "Computational And Theoretical Chemistry", Volum 975, Número 1-3, Pàgines 106-110, 2011. Article.
- Barceló-Oliver, M.; Estarellas, C.; Terrón, A.; García-Raso, A. y Frontera, A., "RNAs' uracil quartet model with a non-essential metal ion", "Chemical Communications", Volum 47, Número 16, Pàgines 4646-4648, 2011. Article.
- Lucas, X.; Quiñonero, D.; Frontera, A. y Deyà, P.M., "The Role of the Ethynyl Substituent on the pi-pi Stacking Affinity of Benzene: A Theoretical Study", "Chemphyschem", Volum 12, Número 2, Pàgines 283-288, 2011. Article.
- Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M., "Can lone pair-pi and cation-pi interactions coexist? A theoretical study", "Central European Journal Of Chemistry", Volum 9, Número 1, Pàgines 25-34, 2011. Article.
- Mashraqui, S.H.; Betkar, R.; Chandiramani, M.; Estarellas, C. y Frontera, A., "Design of a dual sensing highly selective cyanide chemodosimeter based on pyridinium ring chemistry", "New Journal of Chemistry", Volum 35, Pàgines 57-60, 2011. Article.
- Govor, E.V.; Lysenko, A.B.; Quiñonero, D.; Rusanov, E.B.; Chernega, A.N.; Moellmer, J.; Staudt, R.; Krautscheid, H.; Frontera, A.; Domasevitch, K.V., "Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustaining structure of 3D coordination framework", "Chemical Communications", Volum 47, Pàgines 1764-1766, 2011. Article.