Works matching IS 01928651 AND DT 1990 AND VI 11 AND IP 5
Results: 14
On proper dissociation configurations of a molecule.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 629, doi. 10.1002/jcc.540110511
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- Article
A vibrational molecular force field of model compounds with biological interest. I. Harmonic dynamics of crystalline urea at 123 K.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 560, doi. 10.1002/jcc.540110504
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Computer generation of character tables of generalized wreath product groups.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 589, doi. 10.1002/jcc.540110508
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Effect of basic set quality and electron correlation on the scale factors of a harmonic force field.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 623, doi. 10.1002/jcc.540110510
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- Article
H/He Molecules in strong electric fields.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 548, doi. 10.1002/jcc.540110503
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- Article
On the use of conformationally dependent geometry trends from ab initio dipeptide studies to refine potentials for the empirical force field CHARMM.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 654, doi. 10.1002/jcc.540110514
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- Article
Overestimation of the coupling component in the CP technique. Application of the indirect counterpoise correction to the H<sub>2</sub>OHF hydrogen-bonded system.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 576, doi. 10.1002/jcc.540110507
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A new algorithm for solving large inhomogeneous linear system of algebraic equations.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 545, doi. 10.1002/jcc.540110502
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AM1 molecular orbital studies of the structures, conformations, protonation energies, and electronic properties of triazine dihydrofolate reductase inhibitors.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 644, doi. 10.1002/jcc.540110513
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- Article
Solvent effect and librational entropy calculations on N-acetylalanylglycine amide.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 573, doi. 10.1002/jcc.540110506
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Electronic structure and hypolipidemic activity of phthalimide and related compounds. A QSAR study.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 569, doi. 10.1002/jcc.540110505
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- Article
Adaptation of D<sub>2h</sub> ab initio computer code to higher-symmetry point groups.
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- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 636, doi. 10.1002/jcc.540110512
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Masthead.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. fmi, doi. 10.1002/jcc.540110501
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- Article
Computing the electric potential of biomolecules: Application of a new method of molecular surface triangulation.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 5, p. 603, doi. 10.1002/jcc.540110509
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- Article