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Results: 1059

Pau Nolis, Anna Roglans, Teodor Parella
Measurement of coupling constants in symmetrical spin systems using a full multiple-step cross-polarization-driven NMR pulse scheme
Magn. Reson. Chem., 2005, 43, 979-984
DOI: 10.1002/mrc.1670

Jordi Poater, Mariona Sodupe, Joan Bertran, Miquel Solà
Hydrogen bonding and aromaticity in the guaninecytosine base pair interacting with metal cations (M = Cu+, Ca2+ and Cu2+)
Molecular Physics, 2005, 103, 163-173
DOI: 10.1080/00268920512331316238

Martin J. Paterson, Michael J. Bearpark, Michael A. Robb, Lluís Blancafort, Graham A. Worth
Conical intersections: A perspective on the computation of spectroscopic JahnTeller parameters and the degenerate intersection space
Phys. Chem. Chem. Phys., 2005, 7, 2100-2115
DOI: 10.1039/b416538a

Vincenzo Barone, Francesca De Rienzo, Emma Langella, M. Cristina Menziani, Nadia Rega, Marco Sola
A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants
Proteins, 2005, 62, 262-269
DOI: 10.1002/prot.20772

Belén Blanco, Jesper Christensen, Ignasi Maurel, Roser Pleixats, Anna Serra, Anna Pla-Quintana, Anna Roglans, Jordi Benet-Buchholz
Preparation of Nitrogen-Containing 25-Membered Pentaolefinic Macrocycles: (E ,E ,E ,E ,E )-1,6,11,16,21-Penta(arylsulfonyl)-1,6,11,16,21-pentaazacyclopentacosa-3,8,13,18,23-pentaenes
Synthesis, 2005, 2005, 374-380
DOI: 10.1055/s-2004-834938

Judit Masllorens, Marcial Moreno-Mañas, Anna Roglans
Preparation of 15-membered unsaturated N–H containing azamacrocycles and their differential coordination with Pd(0) and Pd(II)
Tetrahedron, 2005, 61, 10105-10112
DOI: 10.1016/j.tet.2005.08.013

Miquel Costas, MarkP. Mehn, MichaelP. Jensen, Lawrence Que
Dioxygen Activation at Mononuclear Nonheme Iron Active Sites:  Enzymes, Models, and Intermediates
Chem. Rev., 2004, 104, 939-986
DOI: 10.1021/cr020628n

I Mayer, P Salvador
Overlap populations, bond orders and valences for fuzzy atoms
Chemical Physics Letters, 2004, 383, 368-375
DOI: 10.1016/j.cplett.2003.11.048

KevinD. Koehntop, Jan-Uwe Rohde, Miquel Costas, Lawrence Que Jr.
XAS characterization of end-on and side-on peroxoiron(iii) complexes of the neutral pentadentate N-donor ligand N-methyl-N,N?,N?-tris(2-pyridylmethyl)ethane-1,2-diamine
Dalton Trans., 2004, 0, 3191-3198
DOI: 10.1039/b409727k

Antoni Llobet, Ester Masllorens, Montserrat Rodríguez, Anna Roglans, Jordi Benet-Buchholz
Syntheses, Structures and Redox Properties of New Macrocyclic Triazatriolefinic Pd0 Complexes and Their Polypyrrole Modified Electrodes− Application to Heterogeneous Catalytic Suzuki Cross-Coupling Reactions
Eur. J. Inorg. Chem., 2004, 2004, 1601-1610
DOI: 10.1002/ejic.200300724

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