Jordi Poater

Orcid: 0000-0002-0814-5074

According to our database1, Jordi Poater authored at least 9 papers between 2001 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

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PhD thesis 
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Links

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Bibliography

2023
Rational design of iron catalysts for C-X bond activation.
J. Comput. Chem., February, 2023

2020
Activation Strain Analyses of Counterion and Solvent Effects on the Ion-Pair SN2 Reaction of and CH3Cl.
J. Comput. Chem., 2020

2019
PyFrag 2019 - Automating the exploration and analysis of reaction mechanisms.
J. Comput. Chem., 2019

2018
Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory.
J. Comput. Chem., 2018

2016
Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting.
J. Comput. Chem., 2016

2010
A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity.
Symmetry, 2010

2009
Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine.
J. Comput. Chem., 2009

2008
On the performance of some aromaticity indices: A critical assessment using a test set.
J. Comput. Chem., 2008

2001
Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques.
J. Comput. Chem., 2001


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