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Results: 921

Maira R. Cerón, Marta Izquierdo, Marc Garcia-Borràs, Sarah S. Lee, Steven Stevenson, Sílvia Osuna, Luis Echegoyen
Bis-1,3-dipolar Cycloadditions on Endohedral Fullerenes M3 N@I -C80 (M = Sc, Lu): Remarkable Endohedral-Cluster Regiochemical Control
J. Am. Chem. Soc., 2015, 137, 11775-11782
DOI: 10.1021/jacs.5b07207

Enrique E. Maroto, Jaime Mateos, Marc Garcia-Borràs, Sílvia Osuna, Salvatore Filippone, MaríaÁngeles Herranz, Yasujiro Murata, Miquel Solà, Nazario Martín
Enantiospecificcis –trans Isomerization in Chiral Fulleropyrrolidines: Hydrogen-Bonding Assistance in the Carbanion Stabilization in H2 O@C60
J. Am. Chem. Soc., 2015, 137, 1190-1197
DOI: 10.1021/ja5108854

Jordi Serra, Christopher J. Whiteoak, Ferran Acuña-Parés, Marc Font, Josep M. Luis, Julio Lloret-Fillol, Xavi Ribas
Oxidant-Free Au(I)-Catalyzed Halide Exchange and Csp2 –O Bond Forming Reactions
J. Am. Chem. Soc., 2015, 137, 13389-13397
DOI: 10.1021/jacs.5b08756

Mohit Chawla, Raffaele Credendino, Albert Poater, Romina Oliva, Luigi Cavallo
Structural Stability, Acidity, and Halide Selectivity of the Fluoride Riboswitch Recognition Site
J. Am. Chem. Soc., 2015, 137, 299-306
DOI: 10.1021/ja510549b

Safwan Aroua, Marc Garcia-Borràs, Marc Florian Bölter, Sílvia Osuna, Yoko Yamakoshi
Endohedral Metal-Induced Regioselective Formation of Bis-Prato Adduct of Y3 N@I -C80 and Gd3 N@I -C80
J. Am. Chem. Soc., 2015, 137, 58-61
DOI: 10.1021/ja511008z

Valerio D’Elia, Hailin Dong, Aaron J. Rossini, Cory M. Widdifield, Sai V. C. Vummaleti, Yury Minenkov, Albert Poater, Edy Abou-Hamad, Jérémie D. A. Pelletier, Luigi Cavallo, Lyndon Emsley, Jean-Marie Basset
Cooperative Effect of Monopodal Silica-Supported Niobium Complex Pairs Enhancing Catalytic Cyclic Carbonate Production
J. Am. Chem. Soc., 2015, 137, 7728-7739
DOI: 10.1021/jacs.5b02872

Anton J. Stasyuk, Michał K. Cyrański, Daniel T. Gryko, Miquel Solà
Acidic C–H Bond as a Proton Donor in Excited State Intramolecular Proton Transfer Reactions
J. Chem. Theory Comput., 2015, 11, 1046-1054
DOI: 10.1021/ct501100t

Robert Zaleśny, Angelika Baranowska-Łączkowska, Miroslav Medveď, Josep M. Luis
Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities
J. Chem. Theory Comput., 2015, 11, 4119-4128
DOI: 10.1021/acs.jctc.5b00434

Sergei F. Vyboishchikov
Modeling exact exchange potential in spherically confined atoms
J. Comput. Chem., 2015, 36, 2037-2043
DOI: 10.1002/jcc.24040

ChristopherJ. Lech, AnhTuân Phan, Maria-Elisabeth Michel-Beyerle, Alexander A. Voityuk
Influence of Base Stacking Geometry on the Nature of Excited States in G-Quadruplexes: A Time-Dependent DFT Study
J. Phys. Chem. B, 2015, 119, 3697-3705
DOI: 10.1021/jp512767j

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