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Results: 1331

Oriol Planas, Steven Roldán-Gómez, Vlad Martin-Diaconescu, Teodor Parella, Josep M. Luis, Anna Company, Xavi Ribas
Carboxylate-Assisted Formation of Aryl-Co(III) Masked-Carbenes in Cobalt-Catalyzed C-H Functionalization with Diazo Esters
J. Am. Chem. Soc., 2017, 139, 14649-14655
DOI: 10.1021/jacs.7b07880

Erik Andris, Rafael Navrátil, Juraj Jašík, Terencio Thibault, Martin Srnec, Miquel Costas, Jana Roithová
Chasing the Evasive Fe═O Stretch and the Spin State of the Iron(IV)–Oxo Complexes by Photodissociation Spectroscopy
J. Am. Chem. Soc., 2017, 139, 2757-2765
DOI: 10.1021/jacs.6b12291
Keywords: Spin states

Sandeep K. Padamati, Davide Angelone, Apparao Draksharapu, Gloria Primi, David James Martin, Moniek Tromp, Marcel Swart, Wesley R. Browne
Transient Formation and Reactivity of a High Valent Nickel(IV) Oxido Complex
J. Am. Chem. Soc., 2017, 139, 8718-8724
DOI: 10.1021/jacs.7b04158
Keywords: Catalysis, Computational chemistry, Density Functional Theory, High-valent metal complexes, Homogeneous catalysis

Terry Chu, Sergei F. Vyboishchikov, Bulat M. Gabidullin, Georgii I. Nikonov
Oxidative Cleavage of the C=N Bond on Al(I)
J. Am. Chem. Soc., 2017, 139, 8804–8807
DOI: 10.1021/jacs.7b04841

Claudia Kupper, Bhaskar Mondal, Joan Serrano-Plana, Iris Klawitter, Frank Neese, Miquel Costas, Shengfa Ye, Franc Meyer
Non-Classical Single-State Reactivity of an Oxo-Iron(IV) Complex Confined to Triplet Pathways
J. Am. Chem. Soc., 2017, 139, 8939-8949
DOI: 10.1021/jacs.7b03255

Gerard Sabenya, Laura Lazaro, Ilaria Gamba, Vlad Martin-Diaconescu, Erik Andris, Thomas Weyhermüller, Frank Neese, Jana Roithová, Eckhard Bill, Julio Lloret-Fillol, Miquel Costas
Generation, spectroscopic and chemical characterization of an octahedral iron (V) – nitrido species with a neutral ligand platform
J. Am. Chem. Soc., 2017, 139, 9168-9177
DOI: 10.1021/jacs.7b00429

Maria A. Trachsel, Simon Lobsiger, Tobias Schär, Lluís Blancafort, Samuel Leutwyler
Planarizing cytosine: The S1 state structure, vibrations, and nonradiative dynamics of jet-cooled 5,6-trimethylenecytosine
J. Chem. Phys., 2017, 146, 244308
DOI: 10.1063/1.4989465

Francisco Olmo, Miquel Costas, Clotilde Marín, Maria José Rosales, Rubén Martín-Escolano, Olaf Cussó, Ramón Gutierrez-Sánchez, Xavi Ribas, Manuel Sánchez-Moreno
Tetradentate polyamines as efficient metallodrugs for Chagas disease treatment in murine model
J. Chemotherapy, 2017, 29, 83-93
DOI: 10.1080/1120009X.2016.1190536

Anand Kumar, Miquel Duran, Miquel Solà
Is coronene better described by Clar’s aromatic π-sextet model or by the AdNDP representation?
J. Comput. Chem., 2017, 38, 1606–1611
DOI: 10.1002/jcc.24801

Dariusz W. Szczepanik, Miquel Solà, Marcin Andrzejak, Barbara Pawełek, Justyna Dominikowska, Mercedes Kukułka, Karol Dyduch, Tadeusz M. Krygowski, Halina Szatyłowicz
The role of the long-range exchange corrections in the description of electron delocalization in aromatic species
J. Comput. Chem., 2017, 38, 1640-1654
DOI: 10.1002/jcc.24805