Works matching IS 01928651 AND DT 2006 AND VI 27 AND IP 10
Results: 8
Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulation.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 10, p. 1076, doi. 10.1002/jcc.20424
- By:
- Publication type:
- Article
DIESEL-MP2: A new program to perform large-scale multireference-MP2 computations.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 10, p. 1055, doi. 10.1002/jcc.20416
- By:
- Publication type:
- Article
Electric field-derived point charges to mimic the electrostatics in molecular crystals.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 10, p. 1063, doi. 10.1002/jcc.20419
- By:
- Publication type:
- Article
Dramatic performance enhancements for the FASTER optimization algorithm.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 10, p. 1071, doi. 10.1002/jcc.20420
- By:
- Publication type:
- Article
RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 10, p. 1101, doi. 10.1002/jcc.20425
- By:
- Publication type:
- Article
Anion substitution in zinc chalcogenides.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 10, p. 1088, doi. 10.1002/jcc.20415
- By:
- Publication type:
- Article
The Jahn–Teller and pseudo-Jahn–Teller effects in the anion photoelectron spectroscopy of B<sub>3</sub> cluster.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 10, p. 1093, doi. 10.1002/jcc.20423
- By:
- Publication type:
- Article
Ratio control variate method for efficiently determining high-dimensional model representations.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 10, p. 1112, doi. 10.1002/jcc.20435
- By:
- Publication type:
- Article