Works matching IS 01928651 AND DT 1996 AND VI 17 AND IP 5/6

Results: 12

Masthead.

Published in:: Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. fmi, doi. 10.1002/jcc.540170501
Publication type:: Article

Merck molecular force field. IV. conformational energies and geometries for MMFF94.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 587, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<587::AID-JCC4>3.0.CO;2-Q

By:

Halgren, Thomas A.;
Nachbar, Robert B.

Publication type:

Article

Molecular mechanics (MM4) calculations on conjugated hydrocarbons.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 695, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<695::AID-JCC8>3.0.CO;2-P

By:

Nevins, Neysa;
Lii, Jenn-Huei;
Allinger, Norman L.

Publication type:

Article

An improved force field (MM4) for saturated hydrocarbons.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 642, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<642::AID-JCC6>3.0.CO;2-U

By:

Allinger, Norman L.;
Chen, Kuohsiang;
Lii, Jenn-Huei

Publication type:

Article

Editorial.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 489, doi. 10.1002/jcc.540170502

By:

Allinger, Norman L.;
von R. Schleyer, Paul

Publication type:

Article

Hyperconjugative effects on carbon-Carbon bond lengths in molecular mechanics (MM4).

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 747, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<747::AID-JCC10>3.0.CO;2-5

By:

Allinger, Norman L.;
Chen, Kuohsiang;
Katzenellenbogen, J. A.;
Wilson, Scott R.;
Anstead, Gregory M.

Publication type:

Article

Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 553, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<553::AID-JCC3>3.0.CO;2-T

By:

Halgren, Thomas A.

Publication type:

Article

Molecular mechanics (MM4) calculations on alkenes.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 669, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<669::AID-JCC7>3.0.CO;2-S

By:

Nevins, Neysa;
Chen, Kuohsiang;
Allinger, Norman L.

Publication type:

Article

Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 520, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<520::AID-JCC2>3.0.CO;2-W

By:

Halgren, Thomas A.

Publication type:

Article

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 490, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P

By:

Halgren, Thomas A.

Publication type:

Article

Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 616, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<616::AID-JCC5>3.0.CO;2-X

By:

Halgren, Thomas A.

Publication type:

Article

Molecular mechanics (MM4) vibrational frequency calculations for alkenes and conjugated hydrocarbons.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 5/6, p. 730, doi. 10.1002/(SICI)1096-987X(199604)17:5/6<730::AID-JCC9>3.0.CO;2-V

By:

Nevins, Neysa;
Allinger, Norman L.

Publication type:

Article