Journal of Computational Chemistry, 1096-987X

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  1. Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models

    Pär Söderhjelm, Jesper Wisborg Krogh, Gunnar Karlström, Ulf Ryde & Roland Lindh, 2007, In: Journal of Computational Chemistry. 28, 6, p. 1083-1090

    Research output: Contribution to journalArticle

  2. A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.

    Asbjörn Holt, Jonas Boström, Gunnar Karlström & Roland Lindh, 2010, In: Journal of Computational Chemistry. 31, 8, p. 1583-1591

    Research output: Contribution to journalArticle

  3. A new module for constrained multi-fragment geometry optimization in internal coordinates implemented in the MOLCAS package.

    Victor Vysotskiy, Jonas Boström & Valera Veryazov, 2013, In: Journal of Computational Chemistry. 34, 30, p. 2657-2665

    Research output: Contribution to journalArticle

  4. An intramolecular induction correction model of the molecular dipole moment.

    Asbjörn Holt & Gunnar Karlström, 2008, In: Journal of Computational Chemistry. 29, 7, p. 1084-1091

    Research output: Contribution to journalArticle

  5. A semiempirical approach to ligand-binding affinities: Dependence on the Hamiltonian and corrections.

    Paulius Mikulskis, Samuel Genheden, Karin Wichmann & Ulf Ryde, 2012, In: Journal of Computational Chemistry. 33, 12, p. 1179-1189

    Research output: Contribution to journalArticle

  6. Can MM/GBSA calculations be sped up by system truncation?

    Majda Misini Ignjatović, Paulius Mikulskis, Pär Söderhjelm & Ulf Ryde, 2018 Mar 15, In: Journal of Computational Chemistry. 39, 7, p. 361-372 12 p.

    Research output: Contribution to journalArticle

  7. Comparison of methods for deriving atomic charges from the electrostatic potential and moments

    Emma Sigfridsson & Ulf Ryde, 1998 Mar, In: Journal of Computational Chemistry. 19, 4, p. 377-395 19 p.

    Research output: Contribution to journalReview article

  8. Confined polyelectrolytes: The complexity of a simple system.

    Sandra C C Nunes, Marie Skepö & Alberto A C C Pais, 2015, In: Journal of Computational Chemistry. 36, 21, p. 1579-1586

    Research output: Contribution to journalArticle

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