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Results: 779

Sílvia Osuna, Miquel Torrent-Sucarrat, Christopher P. Ewels, Miquel Solà, Paul Geerlings, Gregory Van Lier
Local Aromaticity of Pristine and Fluorinated Carbon Nanotubes
J. Nanosci. Nanotech., 2009, 9, 6078-6083
DOI: 10.1166/jnn.2009.1570

Marta Izquierdo, Sílvia Osuna, Salvatore Filippone, Angel Martín-Domenech, Miquel Solà, Nazario Martín
H-Bond-Assisted Regioselective (cis-1) Intramolecular Nucleophilic Addition of the Hydroxyl Group to [60]Fullerene
J. Org. Chem., 2009, 74, 1480-1487
DOI: 10.1021/jo802152x

Marcin Palusiak, Sílvia Simon, Miquel Solà
Interplay between Intramolecular Resonance-Assisted Hydrogen Bonding and Local Aromaticity. II. 1,3-Dihydroxyaryl-2-aldehydes
J. Org. Chem., 2009, 74, 2059-2066
DOI: 10.1021/jo802498h

Marta Izquierdo, Silvia Osuna, Salvatore Filippone, Angel Martín-Domenech, Miquel Solà, Nazario Martín
Regioselective Intramolecular Nucleophilic Addition of Alcohols to C-60: One-Step Formation of a cis-1 Bicyclic-Fused Fullerene
J. Org. Chem., 2009, 74, 6253-6259
DOI: 10.1021/jo901171r

Juan Luis Delgado, Sílvia Osuna, Pierre-Antoine Bouit, Roberto Martínez-Alvarez, Eva Espíldora, Miquel Solà, Nazario Martín
Competitive Retro-Cycloaddition Reaction in Fullerene Dimers Connected through Pyrrolidinopyrazolino Rings
J. Org. Chem., 2009, 74, 8174-8180
DOI: 10.1021/jo901644b

O. Loboda, R. Zalesńny, A. Avramopoulos, Josep M. Luis, Bernard Kirtman, N. Tagmatarchis, H. Reis, M.G. Papadopoulos
Linear and Nonlinear Optical Properties of [60]Fullerene Derivatives
J. Phys. Chem. A, 2009, 113, 1159-1170
DOI: 10.1021/jp808234x
Keywords: Ab initio theory, Computational chemistry, Density Functional Theory, Method development, Nonlinear optical properties

Alexander A. Voityuk
Thermochemistry of Pt−Fullerene Complexes: Semiempirical Study†
J. Phys. Chem. A, 2009, 113, 11801-11808
DOI: 10.1021/jp902926s

Samat Tussupbayev, Georgii I. Nikonov, Sergei F. Vyboishchikov
Dynamics of Si−H−Si Bridges in Agostically Stabilized Silylium Ions
J. Phys. Chem. A, 2009, 113, 1199-1209
DOI: 10.1021/jp807603t

Mireia Güell, Josep M. Luis, Luís Rodríguez-Santiago, Mariona Sodupe, Miquel Solà
Structure, Bonding, and Relative Stability of the Ground and Low-Lying Electronic States of CuO
J. Phys. Chem. A, 2009, 113, 1308-1317
DOI: 10.1021/jp8031379

Sílvia Osuna, Josep Morera, Montserrat Cases, Keiji Morokuma, Miquel Solà
DielsAlder Reaction between Cyclopentadiene and C60: An Analysis of the Performance of the ONIOM Method for the Study of Chemical Reactivity in Fullerenes and Nanotubes
J. Phys. Chem. A, 2009, 113, 9721-9726
DOI: 10.1021/jp904294y

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