Works matching IS 01928651 AND DT 1990 AND VI 11 AND IP 4
Results: 14
Extended basis sets for the transition metals yttrium through cadmium.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 518, doi. 10.1002/jcc.540110410
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- Publication type:
- Article
Comparative study of the molecular electrostatic potential obtained from different wavefunctions. Reliability of the semiempirical MNDO wavefunction.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 416, doi. 10.1002/jcc.540110403
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- Article
A structural approach to calculate physical properties of pure organic substances: The critical temperature, critical volume and related properties.
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- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 493, doi. 10.1002/jcc.540110408
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- Article
Theoretical studies on the alkaline hydrolysis of N-Methylcarbamates.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 524, doi. 10.1002/jcc.540110411
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- Article
Atomic charges derived from semiempirical methods.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 431, doi. 10.1002/jcc.540110404
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- Article
Masthead.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. fmi, doi. 10.1002/jcc.540110401
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- Article
Molecular modeling studies of novel heteroarotinoids.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 531, doi. 10.1002/jcc.540110412
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- Article
Macromodel-an integrated software system for modeling organic and bioorganic molecules using molecular mechanics.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 440, doi. 10.1002/jcc.540110405
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- Article
Free energy calculation of a soft sphere solid using an adaptive, importance sampling Monte Carlo algorithm.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 511, doi. 10.1002/jcc.540110409
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- Publication type:
- Article
Reply to 'Comments on a comparison of AM1 with the recently developed PM3 method'.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 543, doi. 10.1002/jcc.540110414
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- Article
Dynamics of peptides with fixed geometry: Kinetic energy terms and potential energy derivatives as functions of dihedral angles.
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- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 487, doi. 10.1002/jcc.540110407
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- Article
MM2' calculations on methylenecyclohexane, methylenecyclopentane, and cyclopentane. Pitfalls in the two-bond drive technique: How large should the ring be?
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 411, doi. 10.1002/jcc.540110402
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- Publication type:
- Article
Comments on a comparison of AM1 with the recently developed PM3 method.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 541, doi. 10.1002/jcc.540110413
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- Publication type:
- Article
Variable step molecular dynamics: An exploratory technique for peptides with fixed geometry.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 4, p. 468, doi. 10.1002/jcc.540110406
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- Article