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Results: 777

Alexander A. Voityuk, Miquel Duran
Buckycatcher. A New Opportunity for Charge-Transfer Mediation?
J. Phys. Chem. C, 2008, 112, 1672-1678
DOI: 10.1021/jp075209e

AnnaMaria Zawisza, Benjamin Ganchegui, Iván González, Sandrine Bouquillon, Anna Roglans, Françoise Hénin, Jacques Muzart
Heck-type reactions of allylic alcohols
Journal of Molecular Catalysis A: Chemical, 2008, 283, 140-145
DOI: 10.1016/j.molcata.2007.12.021

J. Oscar C. Jiménez-Halla, Juvencio Robles, Miquel Solà
Intramolecular Haptotropic Rearrangements of the Tricarbonylchromium Complex in Small Polycyclic Aromatic Hydrocarbons
Organometallics, 2008, 27, 5230-5240
DOI: 10.1021/om800505j

Anna Dachs, Judit Masllorens, Anna Pla-Quintana, Anna Roglans, Jordi Farjas, Teodor Parella
Structural Differences between Open-Chain and Macrocyclic Triene Ligands for Palladium(0): Influence on the Stability and Catalytical Properties
Organometallics, 2008, 27, 5768-5776
DOI: 10.1021/om800544h

Lídia Garcia, Anna Torrent, Enriqueta Anticó, Clàudia Fontàs, Anna Roglans
Selective Pd(II) and Pt(IV) sorption using novel polymers containing azamacrocycle functional groups
Reactive and Functional Polymers, 2008, 68, 1088-1096
DOI: 10.1016/j.reactfunctpolym.2008.02.012

Ana Gallegos Saliner, Albert Poater, Nina Jeliazkova, Grace Patlewicz, Andrew P. Worth
Toxmatch—A chemical classification and activity prediction tool based on similarity measures
Regulatory Toxicology and Pharmacology, 2008, 52, 77-84
DOI: 10.1016/j.yrtph.2008.05.012

Bernard Kirtman, Josep M. Luis
Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing
The Journal of Chemical Physics, 2008, 128, 114101-
DOI: 10.1063/1.2889950
Keywords: Ab initio theory, Computational chemistry, Method development, Nonlinear optical properties

Marcin Palusiak, Sílvia Simon, Miquel Solà
The proton transfer reaction in malonaldehyde derivatives: Substituent effects and quasi-aromaticity of the proton bridge
Chemical Physics, 2007, 342, 43-54
DOI: 10.1016/j.chemphys.2007.09.016

Alexander A. Voityuk
Fluctuation of the electronic coupling in DNA: Multistate versus two-state model
Chemical Physics Letters, 2007, 439, 162-165
DOI: 10.1016/j.cplett.2007.03.066

Miquel Torrent-Sucarrat, Paul Geerlings, Josep M. Luis
Imaginary Vibrational Modes in Polycyclic Aromatic Hydrocarbons: A Challenging Test for the Hardness Profiles
ChemPhysChem, 2007, 8, 1065-1070
DOI: 10.1002/cphc.200700011
Keywords: Ab initio theory, Aromaticity, Computational chemistry, Density Functional Theory

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