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Results: 1053

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.M. 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

Amanda E. King, Lauren M. Huffman, Alicia Casitas, Miquel Costas, Xavi Ribas, Shannon S. Stahl
Copper-Catalyzed Aerobic Oxidative Functionalization of an Arene CH Bond: Evidence for an Aryl-Copper(III) Intermediate
J. Am. Chem. Soc., 2010, 132, 12068-12073
DOI: 10.1021/ja1045378

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 CHCu
J. Am. Chem. Soc., 2010, 132, 12299-12306
DOI: 10.1021/ja101599e

Johann Bosson, Albert Poater, Luigi Cavallo, Steven P. Nolan
Mechanism of Racemization of Chiral Alcohols Mediated by 16-Electron Ruthenium Complexes
J. Am. Chem. Soc., 2010, 132, 13146-13149
DOI: 10.1021/ja104961s

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

A. Patrícia Bento, Miquel Solà, F. Matthias Bickelhaupt
E2 and S
J. Chem. Theory Comput., 2010, 6, 1445-1445
DOI: 10.1021/ct100103m

Abril Carolina Castro, Edison Osorio, J. Oscar C. Jiménez-Halla, Eduard Matito, William Tiznado, Gabriel Merino
Scalar and Spin−Orbit Relativistic Corrections to the NICS and the Induced Magnetic Field: The case of the E
J. Chem. Theory Comput., 2010, 6, 2701-2705
DOI: 10.1021/ct100304c

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