Journal of Computational Chemistry

Copyright © 2012 Wiley Periodicals, Inc., A Wiley Company

Cover image for Journal of Computational Chemistry

30 November 2000

Volume 21, Issue 15

Pages 1319–1418

    1. Adaptive multilevel finite element solution of the Poisson–Boltzmann equation I. Algorithms and examples (pages 1319–1342)

      M. Holst, N. Baker and F. Wang

      Article first published online: 3 OCT 2000 | DOI: 10.1002/1096-987X(20001130)21:15<1319::AID-JCC1>3.0.CO;2-8

    2. Adaptive multilevel finite element solution of the Poisson–Boltzmann equation II. Refinement at solvent-accessible surfaces in biomolecular systems (pages 1343–1352)

      N. Baker, M. Holst and F. Wang

      Article first published online: 3 OCT 2000 | DOI: 10.1002/1096-987X(20001130)21:15<1343::AID-JCC2>3.0.CO;2-K

    3. Iterative method for finding the low-energy conformations based on the concept of molecular volumes (pages 1353–1360)

      Nenad Raos

      Article first published online: 3 OCT 2000 | DOI: 10.1002/1096-987X(20001130)21:15<1353::AID-JCC3>3.0.CO;2-G

    4. Atomic transferability within the exchange-correlation density (pages 1361–1374)

      Xavier Fradera, Miquel Duran and Jordi Mestres

      Article first published online: 3 OCT 2000 | DOI: 10.1002/1096-987X(20001130)21:15<1361::AID-JCC4>3.0.CO;2-I

    5. Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms (pages 1375–1386)

      Josep Maria Bofill, Ibério de Pinho Ribeiro Moreira, Josep Maria Anglada and Francesc Illas

      Article first published online: 3 OCT 2000 | DOI: 10.1002/1096-987X(20001130)21:15<1375::AID-JCC5>3.0.CO;2-2

    6. The orientation and distance-dependence analysis of the electron transfer reactivity: An electron correlation level investigation of Mn2+(H2O)2/Mn3+(H2O)2 system (pages 1387–1404)

      Yuxiang Bu and Chengbu Liu

      Article first published online: 3 OCT 2000 | DOI: 10.1002/1096-987X(20001130)21:15<1387::AID-JCC6>3.0.CO;2-T

    7. Complete basis set model chemistry applied to molecules of increasing molecular complexity: Thermochemical properties of organic sulfur derivatives (pages 1405–1418)

      Rois Benassi and Fernando Taddei

      Article first published online: 3 OCT 2000 | DOI: 10.1002/1096-987X(20001130)21:15<1405::AID-JCC7>3.0.CO;2-0

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