Batch Tautomer Generation with MolTPC.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 28, p. 2485, doi. 10.1002/jcc.23397
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2013 AND VI 34 AND IP 28
Results: 8
1
2
Computational Protein Design: The Proteus Software and Selected Applications.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 28, p. 2472, doi. 10.1002/jcc.23418
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- Publication type:
- Article
3
Electron Density Deformations Provide New Insights into the Spectral Shift of Rhodopsins.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 28, p. 2460, doi. 10.1002/jcc.23414
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- Publication type:
- Article
4
Porting ONETEP to Graphical Processing Unit-Based Coprocessors. 1. FFT Box Operations.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 28, p. 2446, doi. 10.1002/jcc.23410
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- Publication type:
- Article
5
A Computational Methodology for Accurate Predictions of Rate Constants in Solution: Application to the Assessment of Primary Antioxidant Activity.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 28, p. 2430, doi. 10.1002/jcc.23409
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- Publication type:
- Article
6
Bond Fukui Indices: Comparison of Frozen Molecular Orbital and Finite Differences through Mulliken Populations.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 28, p. 2421, doi. 10.1002/jcc.23405
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- Publication type:
- Article
7
Efficient Lookup Table Using a Linear Function of Inverse Distance Squared.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 28, p. 2412, doi. 10.1002/jcc.23404
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- Publication type:
- Article
8
Nuclear Quantum Effect and Temperature Dependency on the Hydrogen-Bonded Structure of Base Pairs.
- Published in:
- Journal of Computational Chemistry, 2013, v. 34, n. 28, p. 2403, doi. 10.1002/jcc.23399
- By:
- Publication type:
- Article