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Results: 1412

Sergei F. Vyboishchikov
A Simple Local Correlation Energy Functional for Spherically Confined Atoms from ab Initio Correlation Energy Density
Chem. Phys. Chem., 2017, 18, 3478–3484
DOI: 10.1002/cphc.201700774

Olaf Cussó, Michael W. Giuliano, Xavi Ribas, Scott J. Miller, Miquel Costas
A bottom up approach towards artificial oxygenases by combining iron coordination complexes and peptides
Chem. Sci., 2017, 8, 3660-3667
DOI: 10.1039/C7SC00099E

Jordi Serra, Teodor Parella, Xavi Ribas
Au(III)-aryl intermediates in oxidant-free C–N and C–O cross-coupling catalysis
Chem. Sci., 2017, 8, 946-952
DOI: 10.1039/c6sc03699f

Ilaria Gamba, Zoel Codolà, Julio lloret-Fillol, Miquel Costas
Making and Breaking of the O-O Bond at Iron Complexes
Coord. Chem. Rev., 2017, 334, 2-24
DOI: 10.1016/j.ccr.2016.11.007

Miquel Solà
Why Aromaticity Is a Suspicious Concept? Why?
Front. Chem., 2017, 5, 22
DOI: 10.3389/fchem.2017.00022

Sukhmanpreet Kaur, Vijay Kumar, Mohit Chawla, Luigi Cavallo, Albert Poater, Niraj Upadhyay
Pesticides Curbing Soil Fertility: Effect of Complexation of Free Metal Ions
Front. Chem., 2017, 5, 43
DOI: 10.3389/fchem.2017.00043

Jesús Antonio Luque-Urrutia, Albert Poater
The Fundamental Noninnocent Role of Water for the Hydrogenation of Nitrous Oxide by PNP Pincer Ru-based Catalysts
Inorg. Chem., 2017, 56, 14383–14387
DOI: 10.1021/acs.inorgchem.7b02630
Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms

Duenpen Unjaroen, Marcel Swart, Wesley R. Browne
Electrochemical Polymerization of Iron(III) Polypyridyl Complexes through C–C Coupling of Redox Non-innocent Phenolato Ligands
Inorg. Chem., 2017, 56, 470-479
DOI: 10.1021/acs.inorgchem.6b02378

Terry Chu, Sergei F. Vyboishchikov, Bulat M. Gabidullin, Georgii I. Nikonov
Unusual Reactions of NacNacAl with Urea and Phosphine Oxides
Inorg. Chem., 2017, 56, 5993-5997
DOI: 10.1021/acs.inorgchem.7b00716
Keywords: Computational chemistry, Organometallics

Marc Garcia-Borràs, Josep M. Luis, Miquel Solà, Sílvia Osuna
The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes
Inorg. Chim. Acta, 2017, 468, 38-48
DOI: 10.1016/j.ica.2017.07.044
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Cycloaddition, Endohedral fullerenes

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