Works matching IS 01928651 AND DT 1986 AND VI 7 AND IP 3
Results: 16
Dedication.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 257, doi. 10.1002/jcc.540070302
- Publication type:
- Article
Molecular orbital theory of the properties of inorganic and organometallic compounds 4. Extended basis sets for third-and fourth-row, main-group elements.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 359, doi. 10.1002/jcc.540070313
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- Publication type:
- Article
Reactions involving CO<sub>2</sub>, H<sub>2</sub>O, and NH<sub>3</sub>: The formation of (i) carbamic acid, (ii) urea, and (iii) carbonic acid.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 283, doi. 10.1002/jcc.540070306
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- Publication type:
- Article
Masthead.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. fmi, doi. 10.1002/jcc.540070301
- Publication type:
- Article
The evaluation of molecular electron affinities.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 349, doi. 10.1002/jcc.540070312
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- Publication type:
- Article
An unconventional scf method for calculations on large molecules.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 274, doi. 10.1002/jcc.540070305
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- Publication type:
- Article
Archives, bibliographies, and data bases: How to search the ab initio Quantum Chemistry Literature.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 380, doi. 10.1002/jcc.540070316
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- Publication type:
- Article
Ab initio determination of the proton affinities of small neutral and anionic molecules.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 321, doi. 10.1002/jcc.540070309
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- Publication type:
- Article
Conformational stability and flexibility of the ala dipeptide in free space and water: Monte Carlo computer simulation studies.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 345, doi. 10.1002/jcc.540070311
- By:
- Publication type:
- Article
Gas-phase nitrosation of benzene: Theoretical investigations.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 265, doi. 10.1002/jcc.540070304
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- Publication type:
- Article
A handbook of computational chemistry: A practical guide to chemical structure and energy calculations, by Tim Clark, John Wiley, New York, 332 pp. Price: $35.00 (1985).
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 379, doi. 10.1002/jcc.540070315
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- Publication type:
- Article
Ab initio studies of H<sub>2</sub>PXYH molecules (X, Y = O, S).
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 306, doi. 10.1002/jcc.540070308
- By:
- Publication type:
- Article
The remarkably invariant interaction energies of lithium first-row compounds with water and with ammonia.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 334, doi. 10.1002/jcc.540070310
- By:
- Publication type:
- Article
Basis set and correlation effects on computed lithium ion affinities of some oxygen and nitrogen bases.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 259, doi. 10.1002/jcc.540070303
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- Publication type:
- Article
Ab Initio Molecular Orbital Theory by W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, John Wiley, New York, 548pp. Price: $79.95 (1986).
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 379, doi. 10.1002/jcc.540070314
- By:
- Publication type:
- Article
Theoretical studies of O<sub>2</sub><sup>−</sup>:(H<sub>2</sub>O)<sub> n</sub> clusters.
- Published in:
- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 294, doi. 10.1002/jcc.540070307
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- Publication type:
- Article