International Journal of Quantum Chemistry, 0020-7608

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  1. The Liu-Parr power series expansion of the Pauli kinetic energy functional with the incorporation of shell-inducing traits: Atoms

    Ludena, E. V., Salazar, E. X., Cornejo, M. H., Arroyo, D. E. & Karasiev, V. V., 15-Jul-2018, In : International Journal of Quantum Chemistry. 118, 14, 15 p., 25601.

    Research output: Contribution to journalArticleAcademicpeer-review

  2. Valence bonds in elongated boron clusters

    Arvanitidis, A. G., Lim, K. Z., Havenith, R. W. A. & Ceulemans, A., 5-Jul-2018, In : International Journal of Quantum Chemistry. 118, 13, 11 p., e25575.

    Research output: Contribution to journalArticleAcademicpeer-review

  3. Special issue: Dedicated to the memory of Jaap G. Snijders - Preface

    Broer, R. (ed.) & van Lenthe, J. (ed.), Oct-2006, In : International Journal of Quantum Chemistry. 106, 12, p. 2409 1 p.

    Research output: Contribution to journalSpecial issue editingAcademicpeer-review

  4. CHARMM-Based Parameterization of Neutral Articaine-A Widely Used Local Anesthetic

    Prates, E. T., Souza, P. C. T., Pickholz, M. & Skaf, M. S., 2011, In : International Journal of Quantum Chemistry. 111, 7-8, p. 1339-1345 7 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  5. CHARMM Force Field Parameterization of Rosiglitazone

    Hansson, A., Souza, P. C. T., Silveira, R. L., Martinez, L. & Skaf, M. S., 2011, In : International Journal of Quantum Chemistry. 111, 7-8, p. 1346-1354 9 p.

    Research output: Contribution to journalArticleAcademicpeer-review

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