Molecular orbital theory of the hydrogen bond. 27. Substituent effects in water: 4-R-pyrimidine complexes.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 422, doi. 10.1002/jcc.540020411
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1981 AND VI 2 AND IP 4
Results: 16
1
2
On efficient integration techniques for oscillatory integrals in periodic system calculations.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 376, doi. 10.1002/jcc.540020404
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- Publication type:
- Article
3
A theoretical approach to substituent effects.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 470, doi. 10.1002/jcc.540020415
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- Publication type:
- Article
4
Ab initio studies of structural features not easily amenable to experiment. 18. Conformational analysis and molecular structure of glycine methyl ester.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 410, doi. 10.1002/jcc.540020408
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- Publication type:
- Article
5
Molecular orbital theory of the hydrogen bond. 26. The hydration of uracil.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 416, doi. 10.1002/jcc.540020410
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- Publication type:
- Article
6
Model for diffusion-limited electrochemiluminescence.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 368, doi. 10.1002/jcc.540020403
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- Publication type:
- Article
7
Conformational energy calculation on the neurotensin c-terminal pentapeptide Arg-Pro-Tyr-Ile-Leu OH.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 460, doi. 10.1002/jcc.540020414
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- Publication type:
- Article
8
Monte Carlo simulation for inhomogeneous chemical kinetics: Application to the Belousov-Zhabotinskii reaction.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 402, doi. 10.1002/jcc.540020407
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- Publication type:
- Article
9
An ab initio study of the guanidinium fragments in tetrodotoxin and saxitoxin.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 363, doi. 10.1002/jcc.540020402
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- Publication type:
- Article
10
On the construction of self-avoiding chains.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 446, doi. 10.1002/jcc.540020413
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- Publication type:
- Article
11
The electronic structure, spectra, and reactivity of nitrophenols.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 392, doi. 10.1002/jcc.540020406
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- Publication type:
- Article
12
Masthead.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. fmi, doi. 10.1002/jcc.540020401
- Publication type:
- Article
13
MNDO calculations for compounds containing aluminum and boron.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 433, doi. 10.1002/jcc.540020412
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- Publication type:
- Article
14
Molecular mechanics of organic halides. V. Conformational equilibria in solution.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 384, doi. 10.1002/jcc.540020405
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- Publication type:
- Article
15
Space modification: An alternative approach to chemistry problems involving geometry.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 478, doi. 10.1002/jcc.540020416
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- Publication type:
- Article
16
Li<sup>+</sup>F<sup>−</sup> in aqueous solution.
- Published in:
- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 414, doi. 10.1002/jcc.540020409
- By:
- Publication type:
- Article