Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 13
Results: 10
Extension of CAVS coarse-grained model to phospholipid membranes: The importance of electrostatics.
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- Journal of Computational Chemistry, 2017, v. 38, n. 13, p. 971, doi. 10.1002/jcc.24770
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- Article
Toward deformation densities for intramolecular interactions without radical reference states using the fragment, atom, localized, delocalized, and interatomic (FALDI) charge density decomposition scheme.
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- Journal of Computational Chemistry, 2017, v. 38, n. 13, p. 981, doi. 10.1002/jcc.24772
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- Article
Theoretical approaches for predicting the color of rigid dyes in solution.
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- Journal of Computational Chemistry, 2017, v. 38, n. 13, p. 998, doi. 10.1002/jcc.24774
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- Article
FFLUX: Transferability of polarizable machine-learned electrostatics in peptide chains.
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- Journal of Computational Chemistry, 2017, v. 38, n. 13, p. 1005, doi. 10.1002/jcc.24775
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- Article
Erratum.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 13, p. 1015, doi. 10.1002/jcc.24777
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- Article
Cover Image, Volume 38, Issue 13.
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- Journal of Computational Chemistry, 2017, v. 38, n. 13, p. i, doi. 10.1002/jcc.24797
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 13, p. 935, doi. 10.1002/jcc.24620
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- Article
Calculations of solid-state <sup>43</sup>Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals.
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- Journal of Computational Chemistry, 2017, v. 38, n. 13, p. 949, doi. 10.1002/jcc.24763
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- Article
Chemical bonding in excited states: Energy transfer and charge redistribution from a real space perspective.
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- Journal of Computational Chemistry, 2017, v. 38, n. 13, p. 957, doi. 10.1002/jcc.24769
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- Article
Accurate, robust, and reliable calculations of Poisson-Boltzmann binding energies.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 13, p. 941, doi. 10.1002/jcc.24757
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- Article