The geometry of pyrazole: A test for ab initio calculations.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 263, doi. 10.1002/jcc.540160302
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1995 AND VI 16 AND IP 3
Results: 12
1
2
Symplectic integrators and the conservation of angular momentum.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 365, doi. 10.1002/jcc.540160309
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- Publication type:
- Article
3
An efficient simulation technique for electrostatic free energies with applications to azurin.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 370, doi. 10.1002/jcc.540160310
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- Article
4
Masthead.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. fmi, doi. 10.1002/jcc.540160301
- Publication type:
- Article
5
The double cubic lattice method: Efficient approaches to numerical integration of surface area and volume and to dot surface contouring of molecular assemblies.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 273, doi. 10.1002/jcc.540160303
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- Publication type:
- Article
6
Evaluation of moment statistics for molecular modeling.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 285, doi. 10.1002/jcc.540160304
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- Publication type:
- Article
7
Small-amplitude protein conformational dynamics: Second-order analytic relation between cartesian coordinates and dihedral angles.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 328, doi. 10.1002/jcc.540160307
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- Publication type:
- Article
8
Generalized alteration of structure and parameters: A new method for free-energy perturbations in systems containing flexible degrees of freedom.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 311, doi. 10.1002/jcc.540160306
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- Publication type:
- Article
9
Ab initio calculation of molar volumes: Comparison with experiment and use in solvation models.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 385, doi. 10.1002/jcc.540160312
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- Publication type:
- Article
10
Conformational analysis and flexibility of carbohydrates using the CICADA approach with MM3.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 296, doi. 10.1002/jcc.540160305
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- Publication type:
- Article
11
An application of the reaction field theory to hydrated metal cations in the framework of the MNDO, AM1, and PM3 methods.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 378, doi. 10.1002/jcc.540160311
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- Publication type:
- Article
12
Numerical solution of the nonlinear Poisson-Boltzmann equation: Developing more robust and efficient methods.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 3, p. 337, doi. 10.1002/jcc.540160308
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- Publication type:
- Article