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Results: 1729

Jordi Poater, F. Matthias Bickelhaupt, Miquel Solà
Didehydrophenanthrenes: Structure, SingletTriplet Splitting, and Aromaticity
J. Phys. Chem. A, 2007, 111, 5063-5070
DOI: 10.1021/jp0714320

Mireia Güell, Nazario Martín, Margarita Altable, Salvatore Filippone, Angel Martín-Domenech, Miquel Solà
Theoretical Study of the Reaction Mechanisms Involved in the Thermal Intramolecular Reactions of 1,6-Fullerenynes
J. Phys. Chem. A, 2007, 111, 5253-5258
DOI: 10.1021/jp0705368

Jerzy Cioslowski, Eduard Matito, Miquel Solà
Properties of Aromaticity Indices Based on the One-Electron Density Matrix
J. Phys. Chem. A, 2007, 111, 6521-6525
DOI: 10.1021/jp0716132

Milan Remko, Marcel Swart, F. Matthias Bickelhaupt
Conformational Behavior of Basic Monomeric Building Units of Glycosaminoglycans: Isolated Systems and Solvent Effect
J. Phys. Chem. B, 2007, 111, 2313-2321
DOI: 10.1021/jp0646271

Pedro Salvador, Robert Wieczorek, J. J. Dannenberg
Direct Calculation of trans-Hydrogen-Bond ¹³C-^{15N 3-Bond J-Couplings in Entire Polyalanine α-Helices. A Density Functional Theory Study}
J. Phys. Chem. B, 2007, 111, 2398-2403
DOI: 10.1021/jp064706c

Alexander A. Voityuk, William B. Davis
Hole Transfer Energetics in Structurally Distorted DNA:  The Nucleosome Core Particle
J. Phys. Chem. B, 2007, 111, 2976-2985
DOI: 10.1021/jp066470i

Pedro Salvador, Amaparo Asensio, J. J. Dannenberg
The Effect of Aqueous Solvation upon α-Helix Formation for Polyalanines
J. Phys. Chem. B, 2007, 111, 7462-7466
DOI: 10.1021/jp071899a

J. M. Matxain, L. A. Eriksson, J. M. Mercero, X. Lopez, M. Piris, J. M. Ugalde, Jordi Poater, Eduard Matito, Miquel Solà
New Solids Based on B12N12 Fullerenes
J. Phys. Chem. C, 2007, 111, 13354-13360
DOI: 10.1021/jp073773j

Alexander A. Voityuk
How to Switch the Direction of Photoinduced Charge Injection into DNA?
J. Phys. Chem. C, 2007, 111, 7207-7210
DOI: 10.1021/jp070228

Sara Insa, Emili Besalú, Victòria Salvadó, Enriqueta Anticó
Assessment of the matrix effect on the headspace solid-phase microextraction (HS-SPME) analysis of chlorophenols in wines
J. Sep. Sci., 2007, 30, 722-730
DOI: 10.1002/jssc.200600021