Masthead.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. fmi, doi. 10.1002/jcc.540140301
- Publication type:
- Article
Works matching IS 01928651 AND DT 1993 AND VI 14 AND IP 3
Results: 13
1
2
Reconsideration of solvent effects calculated by semiempirical quantum chemical methods.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 371, doi. 10.1002/jcc.540140312
- By:
- Publication type:
- Article
3
Is tetrahedral H<sub>4</sub><sup>2+</sup> a minimum? Anomalous behavior of popular basis sets with the standard p exponents on hydrogen.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 285, doi. 10.1002/jcc.540140305
- By:
- Publication type:
- Article
4
Rapid approximation to molecular surface area via the use of Boolean logic and look-up tables.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 349, doi. 10.1002/jcc.540140309
- By:
- Publication type:
- Article
5
Fitting of nonlinear regressions by orthogonalized power series.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 363, doi. 10.1002/jcc.540140311
- By:
- Publication type:
- Article
6
Observations concerning the treatment of long-range interactions in molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 278, doi. 10.1002/jcc.540140304
- By:
- Publication type:
- Article
7
Stochastic searches for lactone and cycloalkene conformers.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 330, doi. 10.1002/jcc.540140308
- By:
- Publication type:
- Article
8
Conformational dependence of the electrostatic potential-derived charges of dopamine: Ramifications in molecular mechanics force field calculations in the gas phase and in aqueous solution.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 353, doi. 10.1002/jcc.540140310
- By:
- Publication type:
- Article
9
Vibrational molecular force field of model compounds with biologic interest. II. Harmonic dynamics of both anomers of glucose in the crystalline state.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 263, doi. 10.1002/jcc.540140303
- By:
- Publication type:
- Article
10
AMBERCUBE MD, parallelization of Amber's molecular dynamics module for distributed-memory hypercube computers.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 312, doi. 10.1002/jcc.540140307
- By:
- Publication type:
- Article
11
Electrostatic solvent effects on the electronic structure of ground and excited states of molecules: Applications of a cavity model based upon a finite element method.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 253, doi. 10.1002/jcc.540140302
- By:
- Publication type:
- Article
12
Announcements.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 378, doi. 10.1002/jcc.540140313
- Publication type:
- Article
13
Conformational and energetic effects of truncating nonbonded interactions in an aqueous protein dynamics simulation.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 3, p. 295, doi. 10.1002/jcc.540140306
- By:
- Publication type:
- Article