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Results: 1751

Alicia Casitas, Albert Poater, Miquel Solà, Shannon S. Stahl, Miquel Costas, Xavi Ribas
Molecular mechanism of acid-triggered arylhalide reductive elimination in well-defined arylCuIIIhalide species
Dalton Trans., 2010, 39, 10458-10463
DOI: 10.1039/c0dt00284d

Albert Poater, Ana Gallegos Saliner, Miquel Solà, Luigi Cavallo, Andrew P. Worth
Computational methods to predict the reactivity of nanoparticles through structureproperty relationships
Expert Opin. Drug Deliv., 2010, 7, 295-305
DOI: 10.1517/17425240903508756

T. van der Wijst, B. Lippert, Marcel Swart, C. Fonseca Guerra, F. Matthias Bickelhaupt
Differential stabilization of adenine quartets by anions and cations
J Biol Inorg Chem, 2010, 15, 387-397
DOI: 10.1007/s00775-009-0611-8

Ramon Carbó-Dorca
Definition of norm coherent generalized scalar products and quantum similarity
J Math Chem, 2010, 47, 331-344
DOI: 10.1007/s10910-009-9572-y
Keywords: Molecular similarity

Ramon Carbó-Dorca
A monodimensional scientific performance measure: the h index, can be substituted by simple multidimensional descriptors?
J Math Chem, 2010, 47, 548-550
DOI: 10.1007/s10910-009-9573-x
Keywords: Molecular similarity

Xavi Ribas, Carlos Calle, Albert Poater, Alicia Casitas, Laura Gómez, Raül Xifra, Teodor Parella, Jordi Benet-Buchholz, Arthur Schweiger, George Mitrikas, Miquel Solà, Antoni Llobet, T. Daniel P. Stack
Facile CH Bond Cleavage via a Proton-Coupled Electron Transfer Involving a C−H···CuII Interaction
J. Am. Chem. Soc., 2010, 132, 12299-12306
DOI: 10.1021/ja101599e

Dmitry V. Gutsulyak, Sergei F. Vyboishchikov, Georgii I. Nikonov
Cationic Silane σ-Complexes of Ruthenium with Relevance to Catalysis
J. Am. Chem. Soc., 2010, 132, 5950-5951
DOI: 10.1021/ja101583m

J. Vicente de Julián-Ortiz, Lionello Pogliani, Emili Besalú
Two-Variable Linear Regression: Modeling with Orthogonal Least-Squares Analysis
J. Chem. Educ., 2010, 87, 994-995
DOI: 10.1021/ed100307z

Ferran Feixas, J. Oscar C. Jiménez-Halla, Eduard Matito, Jordi Poater, Miquel Solà
A Test to Evaluate the Performance of Aromaticity Descriptors in All-Metal and Semimetal Clusters. An Appraisal of Electronic and Magnetic Indicators of Aromaticity
J. Chem. Theory Comput., 2010, 6, 1118-1130
DOI: 10.1021/ct100034p

Rafael Islas, Gerardo Martínez-Guajardo, J. Oscar C. Jiménez-Halla, Miquel Solà, Gabriel Merino
Not All That Has a Negative NICS Is Aromatic: The Case of the H-Bonded Cyclic Trimer of HF
J. Chem. Theory Comput., 2010, 6, 1131-1135
DOI: 10.1021/ct100098c