Jordi Poater

Publication Activity (10 Years)

Years Active: 2001-2023
Publications (10 Years): 5

Top Topics

Comparative Analysis

Top Venues

J. Comput. Chem.

Publications

Xiaobo Sun, Thomas Hansen, Jordi Poater, Trevor A. Hamlin, Friedrich Matthias Bickelhaupt
Rational design of iron catalysts for C-X bond activation. J. Comput. Chem. 44 (4) (2023)
Nandini Savoo, Jalal Z. A. Laloo, Lydia Rhyman, Ponnadurai Ramasami, F. Matthias Bickelhaupt, Jordi Poater
Activation Strain Analyses of Counterion and Solvent Effects on the Ion-Pair SN2 Reaction of and CH3Cl. J. Comput. Chem. 41 (4) (2020)
Xiaobo Sun, Thomas M. Soini, Jordi Poater, Trevor A. Hamlin, F. Matthias Bickelhaupt
PyFrag 2019 - Automating the exploration and analysis of reaction mechanisms. J. Comput. Chem. 40 (25) (2019)
Ayush K. Narsaria, Jordi Poater, Célia Fonseca Guerra, Andreas W. Ehlers, Koop Lammertsma, F. Matthias Bickelhaupt
Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory. J. Comput. Chem. 39 (32) (2018)
Majid El-Hamdi, Miquel Solà, Jordi Poater, Alexey Y. Timoshkin
Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting. J. Comput. Chem. 37 (15) (2016)
Miquel Solà, Ferran Feixas, J. Oscar C. Jiménez-Halla, Eduard Matito, Jordi Poater
A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity. Symmetry 2 (2) (2010)
Albert Poater, Ana Gallegos Saliner, Ramon Carbó-Dorca, Jordi Poater, Miquel Solà, Luigi Cavallo, Andrew P. Worth
Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine. J. Comput. Chem. 30 (2) (2009)
Ferran Feixas, Eduard Matito, Jordi Poater, Miquel Solà
On the performance of some aromaticity indices: A critical assessment using a test set. J. Comput. Chem. 29 (10) (2008)
Jordi Poater, Miquel Duran, Miquel Solà
Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques. J. Comput. Chem. 22 (14) (2001)