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Results: 13

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, Spectroscopy

Abril Castro, Marcel Swart, Célia Fonseca Guerra
Influence of Substituents and Environment on NMR Shielding Constants of Supramolecular Complexes based on A–T and A–U Base Pairs
Phys. Chem. Chem. Phys., 2017, 19, 13496-13502
DOI: 10.1039/C7CP00397H
Keywords: Chemical bonding, Computational chemistry, Spectroscopy, Density Functional Theory

Sílvia Osuna, Marcel Swart

Editorial (Hot Topic: Nanoreactors and Molecular Prisons)

COC, 2013, 17, 1469-1469
DOI: 10.2174/1385272811317140002
Keywords: Computational chemistry, Confined space, Density Functional Theory

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