Works matching IS 17590876 AND DT 2018 AND VI 8 AND IP 1
Results: 12
Hydrogen-rich superconductors at high pressures.
- Published in:
- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1330
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- Publication type:
- Article
BAGEL: Brilliantly Advanced General Electronic-structure Library.
- Published in:
- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1331
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- Article
Issue information.
- Published in:
- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1332
- Publication type:
- Article
The COSMO and COSMO-RS solvation models.
- Published in:
- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1338
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- Article
Advanced models for water simulations.
- Published in:
- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1355
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- Article
Cover Image, Volume 8, Issue 1.
- Published in:
- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1356
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- Publication type:
- Article
Software update: the ORCA program system, version 4.0.
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- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1327
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- Article
Integrative approaches in HIV-1 non-nucleoside reverse transcriptase inhibitor design.
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- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1328
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- Article
Reaction coordinates and transition states in enzymatic catalysis.
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- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1329
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- Publication type:
- Article
P ySCF: the Python-based simulations of chemistry framework.
- Published in:
- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1340
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- Article
Real-time time-dependent electronic structure theory.
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- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1341
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- Publication type:
- Article
Constructing Markov State Models to elucidate the functional conformational changes of complex biomolecules.
- Published in:
- WIREs: Computational Molecular Science, 2018, v. 8, n. 1, p. n/a, doi. 10.1002/wcms.1343
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- Article