Works matching IS 01928651 AND DT 1984 AND VI 5 AND IP 5

Results: 11

Ab initio studies of structural features not easily amenable to experiment. 38. Structural and conformational investigations of propanoic, 2-methylpropanoic, and butanoic acid.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 451, doi. 10.1002/jcc.540050505

By:

Siam, K.;
Klimkowski, V. J.;
Ewbank, J. D.;
Schäfer, Lothar;
Van Alsenoy, C.

Publication type:

Article

Calculation of energies of excited states using MNDO.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 480, doi. 10.1002/jcc.540050509

By:

Dewar, Michael J. S.;
Fox, Marye Anne;
Campbell, Kay A.;
Chen, Chia-Chung;
Friedheim, James E.;
Holloway, Mary K.;
Kim, Shi Choon;
Liescheski, Phillip B.;
Pakiari, Ali M.;
Tien, Tze-Pei;
Zoebisch, Eve G.

Publication type:

Article

On the calculation of transition moments between states described in different orbital basis.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 500, doi. 10.1002/jcc.540050511

By:

Bauschlicher, Charles W.

Publication type:

Article

An appraisal of molecular force fields for the representation of polypeptides.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 441, doi. 10.1002/jcc.540050504

By:

Hall, David;
Pavitt, Nicola

Publication type:

Article

Vectorization of quantum chemical algorithms: MC- SCF procedures.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 471, doi. 10.1002/jcc.540050508

By:

Rappé, A. K.

Publication type:

Article

Molecular mechanics force-field parameterization procedures.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 486, doi. 10.1002/jcc.540050510

By:

Hopfinger, A. J.;
Pearlstein, R. A.

Publication type:

Article

Examination of formamide, formamidic acid, amidine dimers, and the double proton transfer transition states involving these dimers.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 466, doi. 10.1002/jcc.540050507

By:

Zielinski, Theresa Julia;
Poirier, Raymond Alcide

Publication type:

Article

Molecular vibrational constants of some simple polyatomic molecules. Methyl, silyl, and germyl halides.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 427, doi. 10.1002/jcc.540050503

By:

Mercau, N.;
Aroca, R.;
Robinson, E. A.;
Aron, J.;
Bunnell, J.;
Ford, T. A.

Publication type:

Article

The value of the π-bond order-bond length relationship in geometry prediction and chemical bonding interpretation.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 411, doi. 10.1002/jcc.540050502

By:

Gready, Jill E.

Publication type:

Article

A rotation-torsion vibronic band contour program.

Published in:

Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 457, doi. 10.1002/jcc.540050506

By:

Leugers, M. A.;
Seliskar, C. J.

Publication type:

Article

Masthead.

Published in:: Journal of Computational Chemistry, 1984, v. 5, n. 5, p. fmi, doi. 10.1002/jcc.540050501
Publication type:: Article