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Results: 1175

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

David Asturiol, Benjamin Lasorne, Michael A. Robb, Lluís Blancafort
Photophysics of the ,* and n,* States of Thymine: MS-CASPT2 Minimum-Energy Paths and CASSCF on-the-Fly Dynamics
J. Phys. Chem. A, 2009, 113, 10211-10218
DOI: 10.1021/jp905303g

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

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

Monika Kobyłecka, Annapaola Migani, David Asturiol, Janusz Rak, Lluís Blancafort
Benign Decay vs. Photolysis in the Photophysics and Photochemistry of 5-Bromouracil. A Computational Study
J. Phys. Chem. A, 2009, 113, 5489-5495
DOI: 10.1021/jp811330v

Quansong Li, Annapaola Migani, Lluís Blancafort
MS-CASPT2 Assignment of the UV/Vis Absorption Spectrum of Diazoquinones Undergoing the Photoinduced Wolff Rearrangement
J. Phys. Chem. A, 2009, 113, 9413-9417
DOI: 10.1021/jp904853c

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

Alexander A. Voityuk
Can Charge Transfer in DNA Significantly Be Modulated by Varying the π Stack Conformation?
J. Phys. Chem. B, 2009, 113, 14365-14368
DOI: 10.1021/jp908603w

Lídia Garcia, Anna Pla-Quintana, Anna Roglans
Synthesis of non-proteinogenic phenylalanine derivatives by rhodium-catalyzed [2+2+2] cycloaddition reactions
Org. Biomol. Chem., 2009, 7, 5020-5027
DOI: 10.1039/b910961g

Anna Dachs, Anna Torrent, Anna Pla-Quintana, Anna Roglans, Anny Jutand
Rates and Mechanism of Rhodium-Catalyzed [2+2+2] Cycloaddition of Bisalkynes and a Monoalkyne
Organometallics, 2009, 28, 6036-6043
DOI: 10.1021/om900544u

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