Works matching IS 01928651 AND DT 2005 AND VI 26 AND IP 8
Results: 11
Electrostatic energies and forces computed without explicit interparticle interactions: A linear time complexity formulation.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 755, doi. 10.1002/jcc.20197
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- Article
Molecular dynamics simulation of clustered DNA damage sites containing 8-oxoguanine and abasic site.
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- Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 788, doi. 10.1002/jcc.20184
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- Article
Stability of (C<sub>60</sub>)<sub>2</sub> and epoxide dimers, (C<sub>60</sub>)<sub>2</sub>O<sub>N</sub>, and their anions.
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- Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 803, doi. 10.1002/jcc.20214
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- Article
Carbon boronyls: Species with higher viable possibility than boron carbonyls at the density functional theory.
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- Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 799, doi. 10.1002/jcc.20218
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- Article
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals.
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- Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 827, doi. 10.1002/jcc.20213
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- Article
Computations on the Ö&Xtilde; transition of isoprene-OH-O<sub>2</sub> peroxy radicals.
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- Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 836, doi. 10.1002/jcc.20216
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- Article
Theoretical study on the reaction mechanism of the methyl radical with nitrogen oxides.
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- Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 807, doi. 10.1002/jcc.20217
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- Article
New AMBER force field parameters of heme iron for cytochrome P450s determined by quantum chemical calculations of simplified models.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 818, doi. 10.1002/jcc.20221
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- Publication type:
- Article
Zori 1.0: A parallel quantum Monte Carlo electronic structure package.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 856, doi. 10.1002/jcc.20215
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- Article
Translation of STO charge distributions.
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- Journal of Computational Chemistry, 2005, v. 26, n. 8, p. 846, doi. 10.1002/jcc.20219
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- Article
Erratum to "Solvation forces on biomolecular structures: A comparison of explicit solvent and Poisson-Boltzmann models," by Jason Wagoner and Nathan A. Baker.
- Published in:
- 2005
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- Publication type:
- Erratum