Miquel Duran
Miquel Duran
Institute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)
Dirección de correo verificada de udg.edu - Página principal
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How does basis set superposition error change the potential surfaces for hydrogen‐bonded dimers?
S Simon, M Duran, JJ Dannenberg
The Journal of chemical physics 105 (24), 11024-11031, 1996
17611996
Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches
J Poater, M Duran, M Sola, B Silvi
Chemical reviews 105 (10), 3911-3947, 2005
5822005
The delocalization index as an electronic aromaticity criterion: application to a series of planar polycyclic aromatic hydrocarbons
J Poater, X Fradera, M Duran, M Solà
Chemistry–A European Journal 9 (2), 400-406, 2003
3812003
The aromatic fluctuation index (FLU): A new aromaticity index based on electron delocalization
E Matito, M Duran, M Sola
The Journal of chemical physics 122 (1), 014109, 2005
360*2005
Indicadores de comercio exterior y política comercial
JE Durán Lima
Cepal, 2008
2362008
The calculation of electron localization and delocalization indices at the Hartree–Fock, density functional and post-Hartree–Fock levels of theory
J Poater, M Sola, M Duran, X Fradera
Theoretical Chemistry Accounts 107 (6), 362-371, 2002
1872002
Electron sharing indexes at the correlated level. Application to aromaticity calculations
E Matito, M Solà, P Salvador, M Duran
Faraday discussions 135, 325-345, 2007
1862007
Electron-pairing analysis from localization and delocalization indices in the framework of the atoms-in-molecules theory
X Fradera, J Poater, S Simon, M Duran, M Solà
Theoretical Chemistry Accounts 108 (4), 214-224, 2002
1742002
Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules
M Torrent-Sucarrat, M Sola, M Duran, JM Luis, B Kirtman
The Journal of chemical physics 120 (14), 6346-6355, 2004
1602004
Effect of basis set superposition error on the water dimer surface calculated at Hartree− Fock, Møller− Plesset, and density functional theory levels
S Simon, M Duran, JJ Dannenberg
The Journal of Physical Chemistry A 103 (11), 1640-1643, 1999
1561999
Density functional study of the [2+ 2]-and [2+ 3]-cycloaddition mechanisms for the osmium-catalyzed dihydroxylation of olefins
M Torrent, L Deng, M Duran, M Sola, T Ziegler
Organometallics 16 (1), 13-19, 1997
1561997
Biosorption of Cu (II), Zn (II), Cd (II) and Pb (II) by dead biomasses of green alga Ulva lactuca and the development of a sustainable matrix for adsorption implementation
MM Areco, S Hanela, J Duran, M dos Santos Afonso
Journal of hazardous materials 213, 123-132, 2012
1522012
An insight into the local aromaticities of polycyclic aromatic hydrocarbons and fullerenes
J Poater, X Fradera, M Duran, M Sola
Chemistry–A European Journal 9 (5), 1113-1122, 2003
1412003
Analysis of solvent effects on the Menshutkin reaction
M Sola, A Lledos, M Duran, J Bertran, JLM Abboud
Journal of the American Chemical Society 113 (8), 2873-2879, 1991
1411991
Electron localization function at the correlated level
E Matito, B Silvi, M Duran, M Sola
The Journal of chemical physics 125 (2), 024301, 2006
1272006
La familia: su dinámica y tratamiento
JM Sauceda García, JM Maldonado Durán
OPS, 2003
1192003
Rhodium-catalyzed hydroformylation and deuterioformylation with pyrrolyl-based phosphorus amidite ligands: Influence of electronic ligand properties
SC van der Slot, J Duran, J Luten, PCJ Kamer, PWNM van Leeuwen
Organometallics 21 (19), 3873-3883, 2002
1182002
Mechanism of the Addition Reaction of Alkyl Azides to [60]Fullerene and the Subsequent N2 Extrusion to Form Monoimino-[60]fullerenes
M Cases, M Duran, J Mestres, N Martín, M Sola
The Journal of organic chemistry 66 (2), 433-442, 2001
1132001
Los expertos en el deporte: Su estudio y análisis desde una perspectiva psicológica
LM Ruiz, M Sánchez, JD Piqueras, C Jiménez
Anales de Psicología/Annals of Psychology 22 (1), 132-142, 2006
1112006
Electron localization function at the correlated level: a natural orbital formulation
F Feixas, E Matito, M Duran, M Solà, B Silvi
Journal of chemical theory and computation 6 (9), 2736-2742, 2010
1082010
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Artículos 1–20