Doping effects on proton incorporation and conduction in SrZrO<sub>3</sub>.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 711, doi. 10.1002/jcc.20381
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2006 AND VI 27 AND IP 6
Results: 13
1
2
Heuristic molecular lipophilicity potential (HMLP): Lipophilicity and hydrophilicity of amino acid side chains.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 685, doi. 10.1002/jcc.20369
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- Publication type:
- Article
3
Ab initio calculations of intramolecular parameters for a class of arylamide polymers.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 693, doi. 10.1002/jcc.20382
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- Publication type:
- Article
4
Allostery of the two-state model of hemoglobin studied by ECEPP energy minimization.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 701, doi. 10.1002/jcc.20385
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- Publication type:
- Article
5
SG-0: A small standard grid for DFT quadrature on large systems.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 730, doi. 10.1002/jcc.20383
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- Publication type:
- Article
6
Balancing an accurate representation of the molecular surface in generalized born formalisms with integrator stability in molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 719, doi. 10.1002/jcc.20387
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- Publication type:
- Article
7
Epimerization and desaturation by carbapenem synthase (CarC). A hybrid DFT study.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 740, doi. 10.1002/jcc.20384
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- Publication type:
- Article
8
Theoretical study on the [Si, C, N, O] potential energy surface.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 749, doi. 10.1002/jcc.20376
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- Publication type:
- Article
9
Acetalization and thioacetalization of cabonyl compounds: A case study based on global and local electrophilicity descriptors.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 773, doi. 10.1002/jcc.20377
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- Publication type:
- Article
10
Orbital-orthogonality constraints and basis-set optimization.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 762, doi. 10.1002/jcc.20379
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- Publication type:
- Article
11
Strike a balance: Optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 781, doi. 10.1002/jcc.20386
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- Publication type:
- Article
12
Stereospecific assignments of protein NMR resonances based on the tertiary structure and 2D/3D NOE data.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 791, doi. 10.1002/jcc.20389
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- Publication type:
- Article
13
Detection of discriminative sequence motifs in proteins obtained from prokaryotes grown at various temperatures.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 6, p. 798, doi. 10.1002/jcc.20391
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- Publication type:
- Article