Partial electrostatic charges for the active center of Cu, Zn superoxide dismutase.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 346, doi. 10.1002/jcc.540110309
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1990 AND VI 11 AND IP 3
Results: 16
1
2
On the validity of polarization and correlation additivity in ab initio molecular orbital calculations.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 311, doi. 10.1002/jcc.540110305
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- Publication type:
- Article
3
Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 361, doi. 10.1002/jcc.540110311
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- Publication type:
- Article
4
Derivation of net atomic charges from molecular electrostatic potentials.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 297, doi. 10.1002/jcc.540110304
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- Publication type:
- Article
5
Theoretical study of the proton affinities of 2-, 3-, and 4-monosubstituted phenolate ions in the gas phase by means of MINDO/3, MNDO, and AM1.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 269, doi. 10.1002/jcc.540110302
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- Publication type:
- Article
6
Molecular mechanics criterion for metal complex formation.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 326, doi. 10.1002/jcc.540110307
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- Publication type:
- Article
7
On the use of series to integrate rate equations.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 382, doi. 10.1002/jcc.540110313
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- Publication type:
- Article
8
Calculating electrostatic forces from grid-calculated potentials.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 401, doi. 10.1002/jcc.540110315
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- Publication type:
- Article
9
Use of parallel processing in the study of protein. Ligand binding.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 314, doi. 10.1002/jcc.540110306
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- Article
10
Masthead.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. fmi, doi. 10.1002/jcc.540110301
- Publication type:
- Article
11
Coordination numbers for biomolecular hydration: A quantitative method based on pattern recognition analysis of Monte Carlo simulations of aqueous solutions.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 374, doi. 10.1002/jcc.540110312
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- Publication type:
- Article
12
Force field calculation of equilibrium thermodynamic properties: Diels-Alder reaction of 1,3-butadiene and ethylene and Diels-Alder dimerization of 1,3-butadiene.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 351, doi. 10.1002/jcc.540110310
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- Publication type:
- Article
13
Methods in computational chemistry, volume II, edited by Stephen Wilson, Plenum Press, New York, 1988.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 410, doi. 10.1002/jcc.540110316
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- Publication type:
- Article
14
Theoretical study of adsorption of hydrocarbons on graphite.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 291, doi. 10.1002/jcc.540110303
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- Publication type:
- Article
15
Efficient formulation of the large generator matrices required for computation of the higher moments, and mixed moments, of conformation-dependent properties of chain molecules with independent bonds.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 396, doi. 10.1002/jcc.540110314
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- Publication type:
- Article
16
First and second derivative matrix elements for linear and out-of-plane bending motion.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 3, p. 336, doi. 10.1002/jcc.540110308
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- Publication type:
- Article