Collisions of ideal gas molecules with a rough/fractal surface. A computational study.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 681, doi. 10.1002/jcc.20472
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2007 AND VI 28 AND IP 3
Results: 10
1
2
Neglect of four- and approximation of one-, two-, and three-center two-electron integrals in a symmetrically orthogonalized basis.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 698, doi. 10.1002/jcc.20485
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- Article
3
Effects of entropy on the gas-phase pyrolysis of ethyl N,N-dimethylcarbamate.
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- Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 625, doi. 10.1002/jcc.20600
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- Publication type:
- Article
4
Modifying the OPLS-AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off-plane charge model for aromatic residues.
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- Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 689, doi. 10.1002/jcc.20560
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- Article
5
Electronic structures and chemical bonding in diatomic ScX to ZnX (X = S, Se, Te).
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 703, doi. 10.1002/jcc.20603
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- Publication type:
- Article
6
Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 655, doi. 10.1002/jcc.20589
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- Publication type:
- Article
7
Efficient combination of Wang–Landau and transition matrix Monte Carlo methods for protein simulations.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 715, doi. 10.1002/jcc.20597
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- Publication type:
- Article
8
Computational alanine scanning mutagenesis—An improved methodological approach.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 644, doi. 10.1002/jcc.20566
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- Publication type:
- Article
9
Selected excitation for CAS-SDCI calculations.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 632, doi. 10.1002/jcc.20588
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- Publication type:
- Article
10
Implementation and application of helix–helix distance and crossing angle restraint potentials.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 669, doi. 10.1002/jcc.20614
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- Publication type:
- Article