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Interaction of acetate anion with hydrated Al3+ cation: A theoretical study
Názov Interaction of acetate anion with hydrated Al3+ cation: A theoretical study Autor Tunega Daniel Spoluautori Haberhauer Georg Gerzabek Martin H. Lischka H. Zdroj.dok. Journal of Physical Chemistry A, Molecules, spectroscopy, kinetics, environment, and general theory. Vol. 104, no. 29 (2000), p. 6824-6833 Jazyk dok. eng - angličtina Druh dok. rozpis článkov z periodík (rbx) Ohlasy REZABAL, E. - MERCERO, J.M. - LOPEZ, X. - UGALDE, J.M. A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities. In JOURNAL OF INORGANIC BIOCHEMISTRY. ISSN 0162-0134, SEP 2007, vol. 101, no. 9, p. 1192-1200. REZABAL, E. - MERCERO, J.M. - LOPEZ, X. - UGALDE, J.M. Protein side chains facilitate Mg/Al exchange in model protein binding sites. In CHEMPHYSCHEM. ISSN 1439-4235, OCT 8 2007, vol. 8, no. 14, p. 2119-2124. LIU, X.D. - LU, X.C. - WANG, R.C. - ZHOU, H.Q. - XU, S.J. Surface complexes of acetate on edge surfaces of 2:1 type phyllosilicate: Insights from density functional theory calculation. In GEOCHIMICA ET COSMOCHIMICA ACTA. ISSN 0016-7037, DEC 15 2008, vol. 72, no. 24, p. 5896-5907. AYALA, R. - MARTINEZ, J.M. - PAPPALARDO, R.R. - MUNOZ-PAEZ, A. - MARCOS, E.S. Po(IV) hydration: A quantum chemical study. In JOURNAL OF PHYSICAL CHEMISTRY B. ISSN 1520-6106, MAY 1 2008, vol. 112, no. 17, p. 5416-5422. COSKUNER, O. - JARVIS, E.A.A. Coordination studies of Al-EDTA in aqueous solution. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, MAR 27 2008, vol. 112, no. 12, p. 2628-2633. DAVOODI, A. - PAN, J. - LEYGRAF, C. - NORGREN, S. Multianalytical and in situ studies of localized corrosion of EN AW-3003 alloy - Influence of intermetallic particles. In JOURNAL OF THE ELECTROCHEMICAL SOCIETY. ISSN 0013-4651, 2008, vol. 155, no. 4, p. C138-C146. COSKUNER, O. - BERGERON, D.E. - RINCON, L. - HUDGENS, J.W. - GONZALEZ, C.A. Identification of Active Sites of Biomolecules II: Saccharide and Transition Metal Ion in Aqueous Solution. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, MAR 19 2009, vol. 113, no. 11, p. 2491-2499. AMAT, A. - CLEMENTI, C. - MILIANI, C. - ROMANI, A. - SGAMELLOTTI, A. - FANTACCI, S. Complexation of apigenin and luteolin in weld lake: a DFT/TDDFT investigation. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, 2010, vol. 12, no. 25, p. 6672-6684. LU, Yunxiang - LI, Haiying - ZHU, Xiang - ZHU, Weiliang - LIU, Honglai. How Does Halogen Bonding Behave in Solution? A Theoretical Study Using Implicit Solvation Model. In JOURNAL OF PHYSICAL CHEMISTRY A, 2011, vol.115, no.17, 4467. JIN, Xiaoyan - YAN, Yu - SHI, Wenjing - BI, Shuping. Density Functional Theory Studies on the Structures and Water-Exchange Reactions of Aqueous Al(III)-Oxalate Complexes. In ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2011, vol.45, no.23, 10082. ESTEVEZ, Laura - OTERO, Nicolas - MOSQUERA, Ricardo A. Molecular structure of cyanidin metal complexes: Al(III) versus Mg(II). In THEORETICAL CHEMISTRY ACCOUNTS, 2011, vol.128, no.4-6, 485. SCHAUMANN, G. E. - THIELE-BRUHN, S. Molecular modeling of soil organic matter: Squaring the circle? In GEODERMA, 2011, vol.166, no.1, 1. SCHAUMANN, G. E. - THIELE-BRUHN, S. Reprint of: Molecular modeling of soil organic matter: Squaring the circle? In GEODERMA, 2011, vol.169, no., 55. MOUVENCHERY, Yamuna Kunhi - KUCERIK, Jiri - DIEHL, Doerte - SCHAUMANN, Gabriele E. Cation-mediated cross-linking in natural organic matter: a review. In REVIEWS IN ENVIRONMENTAL SCIENCE AND BIO-TECHNOLOGY, 2012, vol.11, no.1, 41. KUMAR, K. Senthil - KUMARESAN, R. Theoretical investigation of the conformational, electronic and antioxidant properties of azaleatin, isorhamnetin and quercetagetin. In MOLECULAR SIMULATION. ISSN 0892-7022, 2013, vol. 39, no. 1, pp. 72. Kategória ADCA - Vedecké práce v zahraničných karentovaných časopisoch impaktovaných Kategória (od 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Typ výstupu článok Rok vykazovania 2000 
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