A powerful truncated Newton method for potential energy minimization.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 1025, doi. 10.1002/jcc.540080711
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1987 AND VI 8 AND IP 7
Results: 15
1
2
On color polynomials of Fibonacci graphs.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 956, doi. 10.1002/jcc.540080704
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- Publication type:
- Article
3
Scientific and engineering applications with personal computer, r. annino and r.d. driver. wiley, new york, 1986, $45.00, 577 pp.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 1066, doi. 10.1002/jcc.540080715
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- Publication type:
- Article
4
Gaussian basis sets for the fifth row elements, Mo-Cd, and the sixth row elements W-RN.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 982, doi. 10.1002/jcc.540080708
- By:
- Publication type:
- Article
5
An efficient newton-like method for molecular mechanics energy minimization of large molecules.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 1016, doi. 10.1002/jcc.540080710
- By:
- Publication type:
- Article
6
Voronoi binding site models.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 943, doi. 10.1002/jcc.540080703
- By:
- Publication type:
- Article
7
Refined ab initio 6-31G split-valence basis set optimization of the molecular structures of biphenyl in twisted, planar, and perpendicular conformations.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 1057, doi. 10.1002/jcc.540080714
- By:
- Publication type:
- Article
8
Determination of an empirical energy function for protein conformational analysis by energy embedding.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 972, doi. 10.1002/jcc.540080707
- By:
- Publication type:
- Article
9
Monte Carlo study of the aqueous hydration of dimethylphosphate conformations.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 917, doi. 10.1002/jcc.540080702
- By:
- Publication type:
- Article
10
On the out-of-plane deformation of aromatic rings, and its representation by molecular mechanics.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 1051, doi. 10.1002/jcc.540080713
- By:
- Publication type:
- Article
11
A note on the efficient and accurate computation of the phase functions ϕ and χ in semiclassical approximations.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 965, doi. 10.1002/jcc.540080706
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- Publication type:
- Article
12
Masthead.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. fmi, doi. 10.1002/jcc.540080701
- Publication type:
- Article
13
Application of SINDO1 to chlorine and sodium compounds.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 1040, doi. 10.1002/jcc.540080712
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- Publication type:
- Article
14
Fast matrix multiplication.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 960, doi. 10.1002/jcc.540080705
- By:
- Publication type:
- Article
15
Application of SINDO1 to sulphur compounds.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 7, p. 1004, doi. 10.1002/jcc.540080709
- By:
- Publication type:
- Article