Works matching IS 01928651 AND DT 1990 AND VI 11 AND IP 2

Results: 14

η5-P- or η4-P-Coordination in apically oxygenated phosphoranes? An ab initio study of PH4O−, PH4O− · E (E = Li+, NH4+, and HF) and related fluorinated oxyphosphoranes

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 249, doi. 10.1002/jcc.540110211

By:

Glaser, Rainer;
Streitwieser, Andrew

Publication type:

Article

Computational chemistry applied to the design of chiral stationary phases for enantiomeric separation.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 181, doi. 10.1002/jcc.540110204

By:

Däppen, Richard;
Karfunkel, Heinrich R.;
Leusen, Frank J. J.

Publication type:

Article

On the enumeration and generation of polyhex hydrocarbons.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 223, doi. 10.1002/jcc.540110208

By:

Müller, W. R.;
Szymanski, K.;
Knop, J. V.;
Nikolić, S.;
Trinajstić, N.

Publication type:

Article

Effects of computational variations for determining binding energies of diastereomeric complexes when using MM2.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 242, doi. 10.1002/jcc.540110210

By:

Still, Miron G.;
Rogers, L. B.

Publication type:

Article

Ab initio study of substituent effect on the addition of hydrogen fluoride to fluoroethylenes.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 170, doi. 10.1002/jcc.540110203

By:

Solà, Miquel;
Lledós, Agustí;
Duran, Miquel;
Bertrán, Juan;
Ventura, Oscar N.

Publication type:

Article

Announcement.

Published in:: Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 268, doi. 10.1002/jcc.540110214
Publication type:: Article

On the evaluation of the characteristic polynomial of a chemical graph.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 217, doi. 10.1002/jcc.540110207

By:

Živković, Tomislav P.

Publication type:

Article

Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison with ab initio values.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 159, doi. 10.1002/jcc.540110202

By:

Ferenczy, Gyorgy G.;
Reynolds, Christopher A.;
Richards, W. Graham

Publication type:

Article

Alternate realities-mathematical models of nature and man, by John L. Casti, Institute for Econometrics, Operations Research, and System Theory, Technical University of Vienna, John Wiley & Sons, New York, 1989, xvii + 493 pp. $34.95.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 266, doi. 10.1002/jcc.540110213

By:

Garst, John F.

Publication type:

Article

Relaxed potential energy surfaces of N-linked oligosaccharides: The mannose-α(1 → 3)-mannose case.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 205, doi. 10.1002/jcc.540110206

By:

Imberty, Anne;
Tran, Vinh;
Pérez, Serge

Publication type:

Article

Masthead.

Published in:: Journal of Computational Chemistry, 1990, v. 11, n. 2, p. fmi, doi. 10.1002/jcc.540110201
Publication type:: Article

Distance geometry and molecular conformation, by G. M. Crippen and T. F. Havel, Research Studies Press, Taunton, England, John Wiley and Sons, New York, 1988. pp. 541 + x pp. Price: $142.00.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 265, doi. 10.1002/jcc.540110212

By:

Dunitz, Jack D.

Publication type:

Article

Numerical solution of a partial differential equation system describing chemical kinetics and diffusion in a cell with the aid of compartmentalization.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 194, doi. 10.1002/jcc.540110205

By:

Salzner, U.;
Otto, P.;
Ladik, J.

Publication type:

Article

Molecular dynamics simulations of polymers: Methods for optimal Fortran programming.

Published in:

Journal of Computational Chemistry, 1990, v. 11, n. 2, p. 236, doi. 10.1002/jcc.540110209

By:

Noid, D. W.;
Sumpter, B. G.;
Wunderlich, B.;
Pfeffer, G. A.

Publication type:

Article