Works matching IS 01928651 AND DT 2018 AND VI 39 AND IP 29
Results: 10
Dynamics fingerprints of active conformers of epidermal growth factor receptor kinase.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 29, p. 2472, doi. 10.1002/jcc.25590
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- Publication type:
- Article
Fermi‐Löwdin orbital self‐interaction corrected density functional theory: Ionization potentials and enthalpies of formation.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 29, p. 2463, doi. 10.1002/jcc.25586
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- Article
Outer electronic shell visualization by NMR chemical shift laplacian of a helium probe.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 29, p. 2459, doi. 10.1002/jcc.25585
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- Article
Density functional tight binding‐based free energy simulations in the DFTB+ program.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 29, p. 2452, doi. 10.1002/jcc.25583
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- Publication type:
- Article
MB‐Isoster: A software for bioisosterism simulation.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 29, p. 2481, doi. 10.1002/jcc.25581
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- Publication type:
- Article
An Fe‐Ni‐Cr embedded atom method potential for austenitic and ferritic systems.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 29, p. 2420, doi. 10.1002/jcc.25573
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- Publication type:
- Article
Systematic High‐Accuracy Prediction of Electron Affinities for Biological Quinones.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 29, p. 2439, doi. 10.1002/jcc.25570
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- Publication type:
- Article
Polarizable force field parameterization and theoretical simulations of ThCl<sub>4</sub>–LiCl molten salts.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 29, p. 2432, doi. 10.1002/jcc.25558
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- Publication type:
- Article
Cover Image, Volume 39, Issue 29.
- Published in:
- 2018
- Publication type:
- Cover Art
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 29, p. 2415, doi. 10.1002/jcc.25036
- Publication type:
- Article