Works matching IS 01928651 AND DT 2000 AND VI 21 AND IP 15

Results: 7

Adaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples.
Published in:
Journal of Computational Chemistry, 2000, v. 21, n. 15, p. 1319, doi. 10.1002/1096-987X(20001130)21:15<1319::AID-JCC1>3.0.CO;2-8
By:
- Holst, M.;
- Baker, N.;
- Wang, F.
Publication type:
Article
Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms.
Published in:
Journal of Computational Chemistry, 2000, v. 21, n. 15, p. 1375, doi. 10.1002/1096-987X(20001130)21:15<1375::AID-JCC5>3.0.CO;2-2
By:
- Bofill, Josep Maria;
- Moreira, Ibério de Pinho Ribeiro;
- Anglada, Josep Maria;
- Illas, Francesc
Publication type:
Article
Atomic transferability within the exchange-correlation density.
Published in:
Journal of Computational Chemistry, 2000, v. 21, n. 15, p. 1361, doi. 10.1002/1096-987X(20001130)21:15<1361::AID-JCC4>3.0.CO;2-I
By:
- Fradera, Xavier;
- Duran, Miquel;
- Mestres, Jordi
Publication type:
Article
Iterative method for finding the low-energy conformations based on the concept of molecular volumes.
Published in:
Journal of Computational Chemistry, 2000, v. 21, n. 15, p. 1353, doi. 10.1002/1096-987X(20001130)21:15<1353::AID-JCC3>3.0.CO;2-G
By:
- Raos, Nenad
Publication type:
Article
Complete basis set model chemistry applied to molecules of increasing molecular complexity: Thermochemical properties of organic sulfur derivatives.
Published in:
Journal of Computational Chemistry, 2000, v. 21, n. 15, p. 1405, doi. 10.1002/1096-987X(20001130)21:15<1405::AID-JCC7>3.0.CO;2-0
By:
- Benassi, Rois;
- Taddei, Fernando
Publication type:
Article
Adaptive multilevel finite element solution of the Poisson-Boltzmann equation II. Refinement at solvent-accessible surfaces in biomolecular systems.
Published in:
Journal of Computational Chemistry, 2000, v. 21, n. 15, p. 1343, doi. 10.1002/1096-987X(20001130)21:15<1343::AID-JCC2>3.0.CO;2-K
By:
- Baker, N.;
- Holst, M.;
- Wang, F.
Publication type:
Article
The orientation and distance-dependence analysis of the electron transfer reactivity: An electron correlation level investigation of Mn2+(H2O)2/Mn3+(H2O)2 system.
Published in:
Journal of Computational Chemistry, 2000, v. 21, n. 15, p. 1387, doi. 10.1002/1096-987X(20001130)21:15<1387::AID-JCC6>3.0.CO;2-T
By:
- Bu, Yuxiang;
- Liu, Chengbu
Publication type:
Article

Works matching IS 01928651 AND DT 2000 AND VI 21 AND IP 15

Adaptive multilevel finite element solution of the Poisson-Boltzmann equation I. Algorithms and examples.

Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms.

Atomic transferability within the exchange-correlation density.

Iterative method for finding the low-energy conformations based on the concept of molecular volumes.

Complete basis set model chemistry applied to molecules of increasing molecular complexity: Thermochemical properties of organic sulfur derivatives.

Adaptive multilevel finite element solution of the Poisson-Boltzmann equation II. Refinement at solvent-accessible surfaces in biomolecular systems.

The orientation and distance-dependence analysis of the electron transfer reactivity: An electron correlation level investigation of Mn<sup>2+</sup>(H<sub>2</sub>O)<sub>2</sub>/Mn<sup>3+</sup>(H<sub>2</sub>O)<sub>2</sub> system.