Quantum Monte Carlo with very large multideterminant wavefunctions.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. 1866, doi. 10.1002/jcc.24382
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 20
Results: 11
1
2
On the nature of interactions in the F<sub>2</sub>OXe<sup>...</sup>NCCH<sub>3</sub> complex: Is there the Xe(IV)N bond?
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. 1876, doi. 10.1002/jcc.24402
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- Publication type:
- Article
3
Multipole moments for embedding potentials: Exploring different atomic allocation algorithms.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. 1887, doi. 10.1002/jcc.24403
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- Publication type:
- Article
4
Compressing molecular dynamics trajectories: Breaking the one-bit-per-sample barrier.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. 1897, doi. 10.1002/jcc.24405
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- Publication type:
- Article
5
Structural interconnections and the role of heptagonal rings in endohedral trimetallic nitride template fullerenes.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. 1907, doi. 10.1002/jcc.24407
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- Publication type:
- Article
6
Quantum chemical study of the autoxidation of ascorbate.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. 1914, doi. 10.1002/jcc.24408
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- Publication type:
- Article
7
Theoretical study of lithium ionic conductors by electronic stress tensor density and electronic kinetic energy density.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. 1924, doi. 10.1002/jcc.24409
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- Publication type:
- Article
8
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. 1855, doi. 10.1002/jcc.24093
- Publication type:
- Article
9
Cover Image, Volume 37, Issue 20.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. i, doi. 10.1002/jcc.24445
- Publication type:
- Article
10
Multistate empirical valence bond study of temperature and confinement effects on proton transfer in water inside hydrophobic nanochannels.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. 1935, doi. 10.1002/jcc.24411
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- Publication type:
- Article
11
Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculations.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 20, p. 1861, doi. 10.1002/jcc.24412
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- Publication type:
- Article