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Results: 1422

Miquel Costas
Simple and Sustainable Copper-O2 Chemistry towards High-Value Products
ChemCatChem, 2012, 4, 175-176
DOI: 10.1002/cctc.201100350

Marcel Swart, Mikael P. Johansson
Density Functional Study on UV/VIS Spectra of Copper-Protein Active Sites: The Effect of Mutations
Chemistry & Biodiversity, 2012, 9, 1728-1738
DOI: 10.1002/cbdv.201200058

Albert Poater, A. G. Saliner, Luigi Cavallo, M. Poch, Miquel Sola, A. P. Worth
Tuning the Electronic Properties by Width and Length Modifications of Narrow- Diameter Carbon Nanotubes for Nanomedicine
CMC, 2012, 19, 5219-5225
DOI: 10.2174/092986712803530548

David Hugas, Laia Guillaumes, Miquel Duran, Sílvia Simon
Delocalization indices for non-covalent interaction: Hydrogen and DiHydrogen bond
Computational and Theoretical Chemistry, 2012, 998, 113-119
DOI: 10.1016/j.comptc.2012.07.005

Jordi Poater, Marcel Swart, Célia Fonseca Guerra, F. Matthias Bickelhaupt
Solvent effects on hydrogen bonds in WatsonCrick, mismatched, and modified DNA base pairs
Computational and Theoretical Chemistry, 2012, 998, 57-63
DOI: 10.1016/j.comptc.2012.06.003

Francisco Nuñez-Zarur, Jordi Poater, Luís Rodríguez-Santiago, Xavier Solans-Monfort, Miquel Solà, Mariona Sodupe
On the electronic structure of second generation HoveydaGrubbs alkene metathesis precursors
Computational and Theoretical Chemistry, 2012, 996, 57-67
DOI: 10.1016/j.comptc.2012.07.015

Isaac Garcia-Bosch, Xavi Ribas, Miquel Costas
Well-Defined Heterometallic and Unsymmetric M2O2 Complexes Arising from Binding and Activation of O2
Eur. J. Inorg. Chem., 2012, 2012, 179-187
DOI: 10.1002/ejic.201100957

Marco Baron, Cristina Tubaro, Andrea Biffis, Marino Basato, Claudia Graiff, Albert Poater, Luigi Cavallo, Nicola Armaroli, Gianluca Accorsi
Blue-Emitting Dinuclear N-heterocyclic Dicarbene Gold(I) Complex Featuring a Nearly Unit Quantum Yield
Inorg. Chem., 2012, 51, 1778-1784
DOI: 10.1021/ic2020786

Cristina Butchosa, Sílvia Simon, Alexander A. Voityuk
Conformational dependence of the electronic coupling in guanine-tryptophan complexes: A DFT study
Int. J. Quantum Chem., 2012, 112, 1838-1843
DOI: 10.1002/qua.23077

Ramon Carbó-Dorca, Emili Besalú
Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons
J Math Chem, 2012, 50, 1161-1178
DOI: 10.1007/s10910-011-9960-y
Keywords: Molecular similarity

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