Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 1
Results: 8
Efficient pole-search algorithm for dynamic polarizability: Toward alternative excited-state calculation for large systems.
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- Journal of Computational Chemistry, 2017, v. 38, n. 1, p. 7, doi. 10.1002/jcc.24507
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- Article
Visualizing dispersion interactions through the use of local orbital spaces.
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- Journal of Computational Chemistry, 2017, v. 38, n. 1, p. 15, doi. 10.1002/jcc.24508
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- Article
The impact of surface area, volume, curvature, and Lennard-Jones potential to solvation modeling.
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- Journal of Computational Chemistry, 2017, v. 38, n. 1, p. 24, doi. 10.1002/jcc.24512
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- Article
Developing adaptive QM/MM computer simulations for electrochemistry.
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- Journal of Computational Chemistry, 2017, v. 38, n. 1, p. 51, doi. 10.1002/jcc.24513
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- Article
Ab initio potential energy surface and vibration-rotation energy levels of beryllium monohydroxide.
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- Journal of Computational Chemistry, 2017, v. 38, n. 1, p. 37, doi. 10.1002/jcc.24515
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- Article
Evaluation of bonding, electron affinity, and optical properties of M@C<sub>28</sub> (M = Zr, Hf, Th, and U): Role of d- and f-orbitals in endohedral fullerenes from relativistic DFT calculations.
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- Journal of Computational Chemistry, 2017, v. 38, n. 1, p. 44, doi. 10.1002/jcc.24518
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 1, p. 1, doi. 10.1002/jcc.24596
- Publication type:
- Article
Cover Image, Volume 38, Issue 1.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 1, p. i, doi. 10.1002/jcc.24675
- Publication type:
- Article