Works matching IS 01928651 AND DT 1999 AND VI 20 AND IP 14

Results: 13

Topological analysis of electron density in depleted homopolar chemical bonds.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1517, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1517::AID-JCC4>3.0.CO;2-#

By:

Llusar, Rosa;
Beltrán, Armando;
Andrés, Juan;
Noury, Stéphane;
Silvi, Bernard

Publication type:

Article

Conformational searching of transition metal compounds.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1549, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1549::AID-JCC8>3.0.CO;2-F

By:

Bartol, Jessica;
Comba, Peter;
Melter, Michael;
Zimmer, Marc

Publication type:

Article

Guidelines for publication of research results from force-field calculations.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1591, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1591::AID-JCC13>3.0.CO;2-C

By:

Raber, Douglas J.;
Guida, Wayne C.

Publication type:

Article

Consensus bond-charge increments fitted to electrostatic potential or field of many compounds: Application to MMFF94 training set.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1495, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1495::AID-JCC3>3.0.CO;2-3

By:

Bush, Bruce L.;
Bayly, Christopher I.;
Halgren, Thomas A.

Publication type:

Article

Protein sequence threading, the alignment problem, and a two-step strategy.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1455, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1455::AID-JCC1>3.0.CO;2-D

By:

Huber, Thomas;
Torda, Andrew E.

Publication type:

Article

Comparing search strategies for finding global optima on energy landscapes.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1527, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1527::AID-JCC5>3.0.CO;2-W

By:

Foreman, K. W.;
Phillips, A. T.;
Rosen, J. B.;
Dill, K. A.

Publication type:

Article

The parallel implementation of configuration-selecting multireference configuration interaction method.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1559, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1559::AID-JCC9>3.0.CO;2-B

By:

Stampfuss, P.;
Wenzel, W.;
Keiter, H.

Publication type:

Article

Correlated motions analysis from molecular dynamics trajectories: Statistical accuracy on the determination of canonical correlation coefficients.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1571, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1571::AID-JCC10>3.0.CO;2-R

By:

Genest, D.

Publication type:

Article

Use of STOs in Hartree-Fock calculations: Error analysis and variance-minimized pseudospectral method.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1537, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1537::AID-JCC7>3.0.CO;2-P

By:

Kennedy, H. L.;
Zhao, Y.

Publication type:

Article

Guidelines for presentation of methodological choices in the publication of computational results: Ab initio electronic structure calculations.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1587, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1587::AID-JCC12>3.0.CO;2-C

By:

Boggs, James E.

Publication type:

Article

Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1468, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1468::AID-JCC2>3.0.CO;2-0

By:

Philipp, Dean M.;
Friesner, Richard A.

Publication type:

Article

Comment on the validation of continuum electrostatics models.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1533, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1533::AID-JCC6>3.0.CO;2-3

By:

Scarsi, Marco;
Caflisch, Amedeo

Publication type:

Article

VRI: 3D QSAR at variable resolution.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 14, p. 1577, doi. 10.1002/(SICI)1096-987X(19991115)20:14<1577::AID-JCC11>3.0.CO;2-I

By:

Crippen, Gordon M.

Publication type:

Article