dr. Jordi Poater

dr.

20032020
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Discrete Fourier transforms Chemical Compounds
Carbon Monoxide Chemical Compounds
Chemical activation Chemical Compounds
B-Form DNA Chemical Compounds
Solvation Chemical Compounds
Metals Chemical Compounds
Cations Chemical Compounds
Molecular orbitals Chemical Compounds

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Research Output 2003 2020

Activation Strain Analyses of Counterion and Solvent Effects on the Ion-Pair SN2 Reaction of NH2− and CH3Cl

Savoo, N., Laloo, J. Z. A., Rhyman, L., Ramasami, P., Bickelhaupt, F. M. & Poater, J., 5 Feb 2020, In : Journal of Computational Chemistry. 41, 4, p. 317-327 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Solvent Effect
Nucleophiles
Solvation
Activation
Chemical activation

Carbon monoxide insertion at a heavy p-block element: unprecedented formation of a cationic bismuth carbamoyl

Ramler, J., Poater, J., Hirsch, F., Ritschel, B., Fischer, I., Bickelhaupt, F. M. & Lichtenberg, C., 21 Apr 2019, In : Chemical Science. 10, 15, p. 4169-4176 8 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Bismuth
Carbon Monoxide
X ray analysis
Substrates
Ultraviolet spectroscopy

Probing Through-Space Polar-π Interactions in 2,6-Diarylphenols

Bosmans, V., Poater, J., Hammink, R., Tinnemans, P., Bickelhaupt, F. M. & Mecinović, J., 15 Mar 2019, In : Journal of Organic Chemistry. 84, 6, p. 3632-3637 6 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Acidity
Phenols
Phenol
Protons
hydroxide ion

PyFrag 2019—Automating the exploration and analysis of reaction mechanisms

Sun, X., Soini, T. M., Poater, J., Hamlin, T. A. & Bickelhaupt, F. M., 1 Jan 2019, In : Journal of Computational Chemistry. 40, 25, p. 2227-2233 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Reaction Mechanism
Work Flow
Activation
Chemical activation
Potential Energy Surface

Understanding the differences between iron and palladium in cross-coupling reactions

Sun, X., Rocha, M. V. J., Hamlin, T. A., Poater, J. & Matthias Bickelhaupt, F., 1 Jan 2019, In : Physical Chemistry Chemical Physics. 21, 19, p. 9651-9664 14 p.

Research output: Contribution to JournalArticleAcademicpeer-review

cross coupling
Palladium
Carbon Monoxide
palladium
Iron