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Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

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Research Output 1995 2019

  • 134 Article
  • 4 Chapter
  • 2 PhD Thesis - Research VU, graduation VU
  • 1 Conference contribution

Designing Self-Assembled Rosettes: Why Ammeline is a Superior Building Block to Melamine

Petelski, A. N. & Fonseca Guerra, C., Feb 2019, In : ChemistryOpen. 8, 2, p. 135-142 8 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Hydrogen bonds
Supramolecular chemistry
Molecular orbitals
Discrete Fourier transforms
Density functional theory

Supramolecular Self-Sorting Networks using Hydrogen-Bonding Motifs

Coubrough, H. M., van der Lubbe, S. C. C., Hetherington, K., Minard, A., Pask, C., Howard, M. J., Fonseca Guerra, C. & Wilson, A. J., 14 Jan 2019, In : Chemistry - A European Journal. 25, 3, p. 785-795 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Sorting
Hydrogen bonds
Supramolecular chemistry
Linear networks
Molecular recognition

Comparison of the DFT-SAPT and Canonical EDA Schemes for the Energy Decomposition of Various Types of Noncovalent Interactions

Stasyuk, O. A., Sedlak, R., Guerra, C. F. & Hobza, P., 10 Jul 2018, In : Journal of Chemical Theory and Computation. 14, 7, p. 3440-3450 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Discrete Fourier transforms
Decomposition
decomposition
interactions
energy

Glucose-nucleobase pairs within DNA: Impact of hydrophobicity, alternative linking unit and DNA polymerase nucleotide insertion studies

Vengut-Climent, E., Peñalver, P., Lucas, R., Gómez-Pinto, I., Aviñó, A., Muro-Pastor, A. M., Galbis, E., De Paz, M. V., Fonseca Guerra, C., Bickelhaupt, F. M., Eritja, R., González, C. & Morales, J. C., 14 Apr 2018, In : Chemical Science. 9, 14, p. 3544-3554 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
DNA-Directed DNA Polymerase
Hydrophobicity
Nucleotides
Glucose
DNA

How Mg2+ ions lower the SN2@P barrier in enzymatic triphosphate hydrolysis

Van Bochove, M. A., Roos, G., Fonseca Guerra, C., Hamlin, T. A. & Bickelhaupt, F. M., 11 Apr 2018, In : Chemical Communications. 54, 28, p. 3448-3451 4 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Enzymatic hydrolysis
Chemical activation
Ions
Nucleophiles
Stabilization