An empirical force field. I. Alkanes.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 595, doi. 10.1002/jcc.540160508
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1995 AND VI 16 AND IP 5
Results: 13
1
2
Uncoupled Hartree-Fock calculations of the polarizability and hyperpolarizabilities of nitrophenols.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 545, doi. 10.1002/jcc.540160504
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- Publication type:
- Article
3
The relaxation of molecular crystal structures using a distributed multipole electrostatic model.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 628, doi. 10.1002/jcc.540160511
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- Publication type:
- Article
4
Unusual conformational-determining interactions in oxymethylpyridines: An ab initio study and an improved method for refining molecular mechanics parameters.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 620, doi. 10.1002/jcc.540160510
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- Publication type:
- Article
5
Masthead.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. fmi, doi. 10.1002/jcc.540160501
- Publication type:
- Article
6
Conformational memories and a simulated annealing program that learns: Application to LTB<sub>4</sub>.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 648, doi. 10.1002/jcc.540160512
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- Publication type:
- Article
7
Development of optimized MST/SCRF methods for semiempirical calculations: The MNDO and PM3 Hamiltonians.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 563, doi. 10.1002/jcc.540160505
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- Publication type:
- Article
8
The exponents method for calculating equilibrium concentrations of complex species in solution.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 534, doi. 10.1002/jcc.540160503
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- Publication type:
- Article
9
On the accuracy of density functionals and their basis set dependence: An extensive study on the main group homonuclear diatomic molecules Li<sub>2</sub> to Br<sub>2</sub>.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 576, doi. 10.1002/jcc.540160506
- By:
- Publication type:
- Article
10
An empirical force field. II. Crystalline alkanes.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 610, doi. 10.1002/jcc.540160509
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- Publication type:
- Article
11
INDO parameters for the elements of the I and II transition rows.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 586, doi. 10.1002/jcc.540160507
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- Publication type:
- Article
12
Force and virial of torsional-angle-dependent potentials.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 527, doi. 10.1002/jcc.540160502
- By:
- Publication type:
- Article
13
Nonlocal density functional calculation of gas phase heats of formation.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 5, p. 654, doi. 10.1002/jcc.540160513
- By:
- Publication type:
- Article