Works matching IS 01928651 AND DT 1994 AND VI 15 AND IP 3
Results: 11
Force field calculations (MM3) on glyoxal, quinones, and related compounds.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. 251, doi. 10.1002/jcc.540150302
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- Article
A comparative study of effective core potential and full-electron calculations in Mo compounds. I. An analysis of topological properties of bond charge distribution.
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- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. 313, doi. 10.1002/jcc.540150306
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Masthead.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. fmi, doi. 10.1002/jcc.540150301
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- Article
Finite-state and reduced-parameter representations of protein backbone conformations.
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- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. 300, doi. 10.1002/jcc.540150305
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- Article
Ab initio study of low-lying electronic states of the PF<sub>2</sub> radical.
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- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. 346, doi. 10.1002/jcc.540150309
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Announcement.
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- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. 374, doi. 10.1002/jcc.540150311
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- Article
Molecular mechanics (MM3) calculations on alkyl radicals.
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- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. 283, doi. 10.1002/jcc.540150304
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- Article
Molecular simulation of alkyl boronic acids: Molecular mechanics and solvation free energy calculations.
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- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. 333, doi. 10.1002/jcc.540150308
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- Article
Free energy perturbation calculations on parallel computers: Demonstrations of scalable linear speedup.
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- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. 351, doi. 10.1002/jcc.540150310
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- Article
Quantum mechanical computations on very large molecular systems: The local self-consistent field method.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. 269, doi. 10.1002/jcc.540150303
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- Article
The structures of LiNC, NaNC, and KNC: Potential energy surface for the orbiting motion of the metal cation around the CN group.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 3, p. 322, doi. 10.1002/jcc.540150307
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- Article