Works matching IS 01928651 AND DT 1985 AND VI 6 AND IP 1

Results: 15

Masthead.

Published in:: Journal of Computational Chemistry, 1985, v. 6, n. 1, p. fmi, doi. 10.1002/jcc.540060101
Publication type:: Article

Ab initio molecular orbital calculations for chemists, by W. G. Richards and D. L. Cooper, 2nd ed., Clarendon, Oxford, 1983.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 76, doi. 10.1002/jcc.540060112

By:

Streitwieser, A.

Publication type:

Article

Polyatomic, anharmonic, vibrational-rotational analysis. Application to accurate ab initio results for formaldehyde.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 13, doi. 10.1002/jcc.540060105

By:

Harding, Lawrence B.;
Ermler, Walter C.

Publication type:

Article

The α.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 56, doi. 10.1002/jcc.540060109

By:

Lees, W.;
Manoli, S.;
Whitehead, M. A.

Publication type:

Article

Ab initio SCF MO calculations on the reactions of hydroxyl radical with imidazole and monoprotonated imidazole.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 68, doi. 10.1002/jcc.540060111

By:

Eatock, Beverley G.;
Waltz, William L.;
Mezey, Paul G.

Publication type:

Article

Studies of a proposed mechanism for the reaction between 2H-pyran-2-ones and organomagnesium compounds.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 9, doi. 10.1002/jcc.540060104

By:

Dreux, J.;
Lhoste, P.;
Moreau, M.;
Royer, J.

Publication type:

Article

Announcement.

Published in:: Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 78, doi. 10.1002/jcc.540060115
Publication type:: Article

Ab initio calculation of amine out-of-plane angles.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 46, doi. 10.1002/jcc.540060108

By:

Boggs, James E.;
Niu, Zefu

Publication type:

Article

Ab initio studies of structural features not easily amenable to experiment. 42. Molecular geometries and conformational analysis of methylbutanoate.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 61, doi. 10.1002/jcc.540060110

By:

Schäfer, Lothar;
Klimkowski, V. J.;
Van Alsenoy, C.;
Ewbank, J. D.;
Scarsdale, J. N.

Publication type:

Article

Energy component analysis calculations on neutral atom ...︁ base interactions.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 5, doi. 10.1002/jcc.540060103

By:

Singh, U. Chandra;
Kollman, Peter

Publication type:

Article

Logic and combinational algorithms for drug design, by V. E. Golender and A. B. Rosenblit, John Wiley, New York, 289 pp. $63.95 (1984).

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 77, doi. 10.1002/jcc.540060114

By:

Cramer, Richard

Publication type:

Article

Ab initio calculations of intermolecular potentials. The ground state of the ArH<sub>2</sub> van der Waals molecule.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 39, doi. 10.1002/jcc.540060107

By:

Olivares Del Valle, F. J.;
Tolosa, S.;
Piñeiro, A. Lopez;
Requena, A.

Publication type:

Article

Towards the convergence of molecular-mechanical force fields.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 1, doi. 10.1002/jcc.540060102

By:

Meyer, A. Y.;
Forrest, F. R. F.

Publication type:

Article

Minicomputer in the laboratory, by James W. Cooper, Wiley, New York, 1983, 381 pp. Price: $29.00.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 76, doi. 10.1002/jcc.540060113

By:

Carreira, L. A.

Publication type:

Article

Simple method of computing the partition coefficient.

Published in:

Journal of Computational Chemistry, 1985, v. 6, n. 1, p. 28, doi. 10.1002/jcc.540060106

By:

Klopman, Gilles;
Namboodiri, Krishnan;
Schochet, Melvin

Publication type:

Article