Accelerated Poisson-Boltzmann calculations for static and dynamic systems.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 13, p. 1244, doi. 10.1002/jcc.10120
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2002 AND VI 23 AND IP 13
Results: 8
1
2
Determination of the effective dielectric constant from the accurate solution of the Poisson equation.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 13, p. 1254, doi. 10.1002/jcc.10131
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- Publication type:
- Article
3
Binding of D- and L-captopril inhibitors to metallo-β-lactamase studied by polarizable molecular mechanics and quantum mechanics.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 13, p. 1281, doi. 10.1002/jcc.10111
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- Publication type:
- Article
4
Mechanistic aspects of the dehydration and dehydrohalogenation of halo-hydroxyformaldoxime conformers. A quantum chemical model study.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 13, p. 1266, doi. 10.1002/jcc.10116
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- Publication type:
- Article
5
Structure and dynamics of liquid water with different long-range interaction truncation and temperature control methods in molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 13, p. 1211, doi. 10.1002/jcc.10117
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- Publication type:
- Article
6
Carbohydrate solution simulations: Producing a force field with experimentally consistent primary alcohol rotational frequencies and populations.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 13, p. 1236, doi. 10.1002/jcc.10119
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- Publication type:
- Article
7
A comparison of predicted and experimental vibrational spectra in some small fluorocarbons.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 13, p. 1220, doi. 10.1002/jcc.10115
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- Publication type:
- Article
8
Stable conformations of 12-crown-O<sub>3</sub>N and its Li<sup>+</sup> complex in aqueous solution.
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 13, p. 1226, doi. 10.1002/jcc.10110
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- Publication type:
- Article