Works matching IS 01928651 AND DT 1986 AND VI 7 AND IP 2

Results: 19

Spatially constrained minimization of macromolecules.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 165, doi. 10.1002/jcc.540070210

By:

Bruccoleri, Robert E.;
Karplus, Martin

Publication type:

Article

A force-field study of the conformational characteristics of the iduronate ring.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 105, doi. 10.1002/jcc.540070203

By:

Ragazzi, Massimo;
Ferro, Dino R.;
Provasoli, Augusto

Publication type:

Article

Matrix elements for anharmonic potentials: Application to I<sub>2</sub> morse oscillator.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 208, doi. 10.1002/jcc.540070214

By:

Delgado-barrio, G.;
Cortina, A. M.;
Varadé, A.;
Mareca, P.;
Villarreal, P.;
Miret-artés, S.

Publication type:

Article

Molecular mechanics and molecular shape. III. Surface area and cross-sectional areas of organic molecules.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 144, doi. 10.1002/jcc.540070207

By:

Meyer, A. Y.

Publication type:

Article

Preliminary announcement: 6th International Congress on Quantum Chemistry.

Published in:: Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 254, doi. 10.1002/jcc.540070218
Publication type:: Article

Mindo/3 and mndo calculations of closed- and open-shell cations containing C, H, N, and O.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 93, doi. 10.1002/jcc.540070202

By:

Halim, Herman;
Heinrich, Nikolaus;
Koch, Wolfram;
Schmidt, Jochen;
Frenking, Gernot

Publication type:

Article

A minimal multiconfigurational technique.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 201, doi. 10.1002/jcc.540070213

By:

Fernández Rico, J.;
Paniagua, M.;
GarcíA De La Vega, J. M.;
Fernández-alonso, J. I.;
Fantucci, P.

Publication type:

Article

An improved set of mndo parameters for sulfur.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 140, doi. 10.1002/jcc.540070206

By:

Dewar, Michael J. S.;
Reynolds, Charles H.

Publication type:

Article

Erratum.

Published in:: Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 253, doi. 10.1002/jcc.540070217
Publication type:: Article

Masthead.

Published in:: Journal of Computational Chemistry, 1986, v. 7, n. 2, p. fmi, doi. 10.1002/jcc.540070201
Publication type:: Article

Conformational study of the trinucleotide CpGpCp-pentapeptide Gly<sub>5</sub> complex: The important role of bridging water in the complex formation.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 189, doi. 10.1002/jcc.540070212

By:

Yoon, Chang No;
Jhon, Mu Shik

Publication type:

Article

Vectorization of a classical trajectory code on a floating point systems, Inc. Model 164 attached processor.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 219, doi. 10.1002/jcc.540070215

By:

Kraus, Wayne A.;
Wagner, Albert F.

Publication type:

Article

A method for the machine detection of near equivalence of major substructures in a molecule.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 129, doi. 10.1002/jcc.540070205

By:

Bersohn, Malcolm;
Fujiwara, Shizuo;
Fujiwara, Yuzuru

Publication type:

Article

The computed force constants and vibrational spectra of toluene.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 158, doi. 10.1002/jcc.540070209

By:

Xie, Yaoming;
Boggs, James E.

Publication type:

Article

Comparison of sequences as a method for evaluation of the molecular similarity.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 176, doi. 10.1002/jcc.540070211

By:

Jerman-Blaẑiĉ, B.;
Fabiĉ, I.;
Randić, M.

Publication type:

Article

A fast algorithm for the interactive docking maneuver with flexible macromolecules and probes.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 113, doi. 10.1002/jcc.540070204

By:

Karfunkel, H. R.

Publication type:

Article

An all atom force field for simulations of proteins and nucleic acids.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 230, doi. 10.1002/jcc.540070216

By:

Weiner, Scott J.;
Kollman, Peter A.;
Nguyen, Dzung T.;
Case, David A.

Publication type:

Article

The effect of including polarization functions on the geometrical parameters calculated for pyridine.

Published in:

Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 153, doi. 10.1002/jcc.540070208

By:

Bock, Charles W.;
Trachtman, Mendel;
George, Philip

Publication type:

Article

World Congress of Theoretical Organic Chemists.

Published in:: Journal of Computational Chemistry, 1986, v. 7, n. 2, p. 255, doi. 10.1002/jcc.540070219
Publication type:: Article