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Results: 1331

Francisco Olmo, Olaf Cussó, Clotilde Marín, MariaJosé Rosales, Kristína Urbanová, R. Luise Krauth-Siegel, Miquel Costas, Xavi Ribas, Manuel Sánchez-Moreno
In vitro and in vivo identification of tetradentated polyamine complexes as highly efficient metallodrugs against Trypanosoma cruzi
Experimental Parasitology, 2016, 164, 20-30
DOI: 10.1016/j.exppara.2016.02.004

Jesus De Julián-Ortiz, Begoña Verdejo, Víctor Polo, Emili Besalú, Enrique García-España
Molecular Rearrangement of an Aza-Scorpiand Macrocycle Induced by pH: A Computational Study
IJMS, 2016, 17, 1131-
DOI: 10.3390/ijms17071131
OpenAccess: –
Keywords: Predictive Chemistry

Marcos Gil-Sepulcre, Jordan C. Axelson, Joan Aguiló, Lluís Solà-Hernández, Laia Francàs, Albert Poater, Lluís Blancafort, Jordi Benet-Buchholz, Gonzalo Guirado, Lluís Escriche, Antoni Llobet, Roger Bofill, Xavier Sala
Synthesis and Isomeric Analysis of RuII Complexes Bearing Pentadentate Scaffolds
Inorg. Chem. , 2016, 55, 11216-11229
DOI: 10.1021/acs.inorgchem.6b01755
OpenAccess: –
Keywords: Light-driven synthesis, Excited states

Gabriella Skara, Martí Gimferrer, Frank De Proft, Pedro Salvador, Balazs Pinter
Scrutinizing the Noninnocence of Quinone Ligands in Ruthenium Complexes: Insights from Structural, Electronic, Energy, and Effective Oxidation State Analyses
Inorg. Chem., 2016, 55, 2185-2199
DOI: 10.1021/acs.inorgchem.5b02543

Mayank Puri, Anna Company, Gerard Sabenya, Miquel Costas, Lawrence Que Jr.
Oxygen Atom Exchange between H₂ O and Non-Heme Oxoiron(IV) Complexes: Ligand Dependence and Mechanism
Inorg. Chem., 2016, 55, 5818-5827
DOI: 10.1021/acs.inorgchem.6b00023

Emili Besalú
Fast Modeling of Binding Affinities by Means of Superposing Significant Interaction Rules (SSIR) Method
Int. J. Mol. Sci., 2016, 17, 827
DOI: 10.3390/ijms17060827

Ramon Carbó-Dorca, Silvia González
Molecular Spaces Quantum Quantitative Structure-Properties Relations (QQSPR):
Int. J. Quant. Struct. Prop. Rel., 2016, 1, 1-22
DOI: 10.4018/IJQSPR.2016070101

Teresa Corona, Apparao Draksharapu, Sandeep K. Padamati, Ilaria Gamba, Vlad Martin-Diaconescu, Ferran Acuña-Parés, Wesley R. Browne, Anna Company
Rapid hydrogen and oxygen atom transfer by a high-valent nickel-oxygen species
J. Am. Chem. Soc., 2016, 138, 12987–12996
DOI: 10.1021/jacs.6b07544

Ethan A. Hill, Andrew C. Weitz, Elizabeth Onderko, Adrian Romero-Rivera, Yisong Guo, Marcel Swart, Emile L. Bominaar, Michael T. Green, Michael P. Hendrich, David C. Lacy, Andrew Scott Borovik
Reactivity of an Fe^IV –Oxo Complex with Protons and Oxidants
J. Am. Chem. Soc., 2016, 40, 13143–13146
DOI: 10.1021/jacs.6b07633
OpenAccess: –
Keywords: Homogeneous catalysis

Paolo Pirovano, Erik R. Farquhar, Marcel Swart, Aidan R. McDonald
Tuning the Reactivity of Terminal Nickel(III)–Oxygen Adducts for C–H Bond Activation
J. Am. Chem. Soc., 2016, 138, 14362-14370
DOI: 10.1021/jacs.6b08406
OpenAccess: –
Keywords: Homogeneous catalysis