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Results: 1422

Paul W. Ayers, Ramon Carbó-Dorca
The relationship between the eigenvalues and eigenvectors of a similarity matrix and its associated Carbó index matrix
J Math Chem, 2011, 49, 6-11
DOI: 10.1007/s10910-010-9737-8
Keywords: Molecular similarity

Ramon Carbó-Dorca
Logical Kronecker delta deconstruction of the absolute value function and the treatment of absolute deviations
J Math Chem, 2011, 49, 619-624
DOI: 10.1007/s10910-010-9781-4
Keywords: Molecular similarity

Alicia Casitas, Mercè Canta, Miquel Solà, Miquel Costas, Xavi Ribas
Nucleophilic Aryl Fluorination and Aryl Halide Exchange Mediated by a CuI/CuIIICatalytic Cycle
J. Am. Chem. Soc., 2011, 133, 19386-19392
DOI: 10.1021/ja2058567

Carles Curutchet, Jacob Kongsted, Aurora Munñoz-Losa, Hoda Hossein-Nejad, Gregory D. Scholes, Benedetta Mennucci
Photosynthetic Light-Harvesting Is Tuned by the Heterogeneous Polarizable Environment of the Protein
J. Am. Chem. Soc., 2011, 133, 3078-3084
DOI: 10.1021/ja110053y

Lluís Blancafort, Fabien Gatti, Hans-Dieter Meyer
Quantum dynamics study of fulvene double bond photoisomerization: The role of intramolecular vibrational energy redistribution and excitation energy
J. Chem. Phys., 2011, 135, 134303
DOI: 10.1063/1.3643767

Alisa Krishtal, Sergei F. Vyboishchikov, Christian Van Alsenoy
A Hirshfeld Partitioning of the MP2 Correlation Energy: Method and Its Application to the Benzene Dimers
J. Chem. Theory Comput., 2011, 7, 2049-2058
DOI: 10.1021/ct200062j

Miquel Torrent-Sucarrat, Josep M. Anglada, Josep M. Luis
Evaluation of the Nonlinear Optical Properties for Annulenes with Hückel and Möbius Topologies
J. Chem. Theory Comput., 2011, 7, 3935-3943
DOI: 10.1021/ct2005424

Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt
Inter- and intramolecular dispersion interactions
J. Comput. Chem., 2011, 32, 1117-1127
DOI: 10.1002/jcc.21693

Cina Foroutan-Nejad, Shant Shahbazian, Ferran Feixas, Parviz Rashidi-Ranjbar, Miquel Solà
A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings
J. Comput. Chem., 2011, 32, 2422-2431
DOI: 10.1002/jcc.21824

Wouter Heyndrickx, Pedro Salvador, Patrick Bultinck, Miquel Solà, Eduard Matito
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices
J. Comput. Chem., 2011, 32, 386-395
DOI: 10.1002/jcc.21621

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