Determination of the Wiener molecular branching index for the general tree.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 598, doi. 10.1002/jcc.540060613
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- Publication type:
- Article
Works matching IS 01928651 AND DT 1985 AND VI 6 AND IP 6
Results: 22
1
2
Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). I. Algorithms for finding graph orbits and canonical numbering of atoms.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 538, doi. 10.1002/jcc.540060606
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- Publication type:
- Article
3
A parallel molecular dynamics strategy.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 634, doi. 10.1002/jcc.540060617
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- Publication type:
- Article
4
Unique description of chemical structures on hierarchically ordered extended connectivities (HOC procedures). II. Mathematical proofs for the HOC algorithm.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 552, doi. 10.1002/jcc.540060607
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- Publication type:
- Article
5
The through-space transmission of <sup>31</sup>P-<sup>31</sup>P coupling constants.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 647, doi. 10.1002/jcc.540060618
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- Publication type:
- Article
6
Comparative studies on the reactivity of molecules by atomic valences.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 507, doi. 10.1002/jcc.540060602
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- Publication type:
- Article
7
Characteristic polynomials of organic polymers and periodic structures.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 656, doi. 10.1002/jcc.540060620
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- Publication type:
- Article
8
Masthead.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. fmi, doi. 10.1002/jcc.540060601
- Publication type:
- Article
9
The effect of including polarization functions on the geometrical parameters calculated for benzene, fluorobenzene and cyanobenzene.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 592, doi. 10.1002/jcc.540060612
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- Publication type:
- Article
10
Compact basis sets for LCAO-LSD calculations. Part II: Tests for Cr<sub>2</sub> and Ni<sub>4</sub>.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 533, doi. 10.1002/jcc.540060605
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- Publication type:
- Article
11
Conformational analysis of some dimethylheptanes with the aid of normal coordinate calculations.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 625, doi. 10.1002/jcc.540060616
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- Publication type:
- Article
12
Molecular structures and intramolecular interactions in dimethyl cyclohexane isomers.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 570, doi. 10.1002/jcc.540060609
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- Publication type:
- Article
13
Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). VIII. General principles for computer implementation.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 587, doi. 10.1002/jcc.540060611
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- Publication type:
- Article
14
Announcement.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 674, doi. 10.1002/jcc.540060622
- Publication type:
- Article
15
Compact basis sets for LCAO-LSD calculations. Part I: Method and bases for Sc to Zn.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 520, doi. 10.1002/jcc.540060604
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- Publication type:
- Article
16
Theoretically derived absorption and MCD spectral data for the cellular species produced in the hydrolysis of cis-diamminedichloroplatinum(II).
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 614, doi. 10.1002/jcc.540060615
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- Publication type:
- Article
17
Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). III. Topological, chemical, and stereochemical coding of molecular structure.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 562, doi. 10.1002/jcc.540060608
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- Publication type:
- Article
18
Systematic errors in the total energy of molecular wave functions calculated within the PRDDO approximations.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 652, doi. 10.1002/jcc.540060619
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- Publication type:
- Article
19
Computational schemes for modeling proton transfer in biological systems: Calculations on the hydrogen bonded complex [CH<sub>3</sub>OH · H · NH<sub>3</sub>]<sup>+</sup>.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 581, doi. 10.1002/jcc.540060610
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- Publication type:
- Article
20
Structural features of benzylic carbanions. A theoretical study.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 662, doi. 10.1002/jcc.540060621
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- Publication type:
- Article
21
Computation of reequilibration data in solids.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 514, doi. 10.1002/jcc.540060603
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- Publication type:
- Article
22
Ishtar: An interactive system for quantitative investigation on dipolar and quadrupolar spin-lattice relaxation.
- Published in:
- Journal of Computational Chemistry, 1985, v. 6, n. 6, p. 610, doi. 10.1002/jcc.540060614
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- Publication type:
- Article