Comparison of semiempirical calculations for silicon compounds.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 4, p. 417, doi. 10.1002/jcc.540120402
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1991 AND VI 12 AND IP 4
Results: 10
1
2
Ab initio calculations on CO<sub>4</sub> centers in silicon dioxide.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 4, p. 446, doi. 10.1002/jcc.540120406
- By:
- Publication type:
- Article
3
Masthead.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 4, p. fmi, doi. 10.1002/jcc.540120401
- Publication type:
- Article
4
A rapid finite difference algorithm, utilizing successive over-relaxation to solve the Poisson-Boltzmann equation.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 4, p. 435, doi. 10.1002/jcc.540120405
- By:
- Publication type:
- Article
5
Frequency dependent nonlinear optical properties of molecules: Formulation and implementation in the HONDO program.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 4, p. 487, doi. 10.1002/jcc.540120409
- By:
- Publication type:
- Article
6
Molecular mechanics (MM) and MM-EHMO conformational analysis of the diastereoisomers of 3-amino-1,2,3-triphenyl-1-propyl chloride.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 4, p. 427, doi. 10.1002/jcc.540120404
- By:
- Publication type:
- Article
7
Atomic multipoles and perpendicular electrostatic forces in diatomic and planar molecules.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 4, p. 469, doi. 10.1002/jcc.540120408
- By:
- Publication type:
- Article
8
Standard-geometry chains fitted to X-ray derived structures: Validation of the rigid-geometry approximation. I. Chain closure through a limited search of 'loop' conformations.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 4, p. 505, doi. 10.1002/jcc.540120410
- By:
- Publication type:
- Article
9
Splicing I: Using mixed basis sets in ab initio calculations.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 4, p. 421, doi. 10.1002/jcc.540120403
- By:
- Publication type:
- Article
10
Incorporating solvent and ion screening into molecular dynamics using the finite-difference Poisson-Boltzmann method.
- Published in:
- Journal of Computational Chemistry, 1991, v. 12, n. 4, p. 454, doi. 10.1002/jcc.540120407
- By:
- Publication type:
- Article