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Physical Chemistry

Working Paper

Intrinsic Bond Strength Index as a halogen bond interaction energy predictor

Ona Šivickytė, Paulo J. Costa

Version 3 posted 21 June 2023

335

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Theoretical and Computational Chemistry

Working Paper

Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations

Andreia Fortuna, Paulo J. Costa

Version 1 posted 20 September 2023

127

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Theoretical and Computational Chemistry

Working Paper

Optimized Halogen Atomic Radii for PBSA Calculations Using Off-Center Point-Charges

Andreia Fortuna, Paulo J. Costa

Version 2 posted 03 June 2021

443

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Organometallic Chemistry

Working Paper

Alumination of Aryl Methyl Ethers: Switching Between Sp2 and Sp3 C–O Bond Functionalisation with Pd-Catalysis

Ryan Brown, Thomas N hooper, Feriel Rekroukh, Andrew J. P. White, Paulo J. Costa, Mark Crimmin

Version 1 posted 25 May 2021

298

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Organometallic Chemistry

Working Paper

Catalyst Control of Selectivity in the C–O Bond Alumination of Biomass Derived Furans

Thomas N hooper, Ryan Brown, Feriel Rekhroukh, Martí Garçon, Andrew J. P. White, Paulo J. Costa, Mark Crimmin

Version 3 posted 27 May 2020

840

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Biological and Medicinal Chemistry

Working Paper

Synthesis and Exploitation of the Biological Profile of Novel Guanidino Xylofuranose Derivatives

Nuno Manuel Xavier, Andreia Fortuna, Rita Gonçalves-Pereira, Paulo J. Costa, Radek Jorda, Veronika Vojáčková, Niels V. Heise, René Csuk, M. Conceição Oliveira

Version 1 posted 29 June 2021

293

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Biological and Medicinal Chemistry

Working Paper

Tackling Halogenated Species with PBSA: Effect of Emulating the σ-Hole

Rafael Nunes, Diogo Vila Viçosa, Paulo J. Costa

Version 2 posted 08 April 2019

692

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Biological and Medicinal Chemistry

Working Paper

Halogen bonding: an underestimated player in membrane-ligand interactions

Rafael Nunes, Diogo Vila Viçosa, Paulo J. Costa

Version 3 posted 01 February 2021

1,182

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Organic Chemistry

Working Paper

Synthesis of 1,2,3-Triazole-Containing Furanosyl Nucleoside Analogs and Their Phosphate, Phosphoramidate or Phoshonate Derivatives as Potential Sugar Diphosphate or Nucleotide Mimetics

Andreia Fortuna, Paulo J. Costa, Fátima Piedade, M. Conceição Oliveira, Nuno Manuel Xavier

Version 1 posted 21 May 2020

899

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9 results in Paulo J. Costa in Authors: Paulo J. Costa

Intrinsic Bond Strength Index as a halogen bond interaction energy predictor

Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations

Optimized Halogen Atomic Radii for PBSA Calculations Using Off-Center Point-Charges

Alumination of Aryl Methyl Ethers: Switching Between Sp2 and Sp3 C–O Bond Functionalisation with Pd-Catalysis

Catalyst Control of Selectivity in the C–O Bond Alumination of Biomass Derived Furans

Synthesis and Exploitation of the Biological Profile of Novel Guanidino Xylofuranose Derivatives

Tackling Halogenated Species with PBSA: Effect of Emulating the σ-Hole

Halogen bonding: an underestimated player in membrane-ligand interactions

Synthesis of 1,2,3-Triazole-Containing Furanosyl Nucleoside Analogs and Their Phosphate, Phosphoramidate or Phoshonate Derivatives as Potential Sugar Diphosphate or Nucleotide Mimetics

9 results in Authors: Paulo J. Costa