Catalogo Articoli (Spogli Riviste)

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La ricerca find articoli where soggetti phrase all words 'LINEAR SCALING COMPUTATION' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 17 riferimenti
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    1. Duan, ZH; Krasny, R
      An adaptive treecode for computing nonbonded potential energy in classicalmolecular systems

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    2. Choi, CH; Ruedenberg, K; Gordon, MS
      New parallel optimal-parameter fast multipole method (OPFMM)

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    3. Larsen, H; Helgaker, T; Olsen, J; Jorgensen, P
      Geometrical derivatives and magnetic properties in atomic-orbital density-based Hartree-Fock theory

      JOURNAL OF CHEMICAL PHYSICS
    4. Larsen, H; Olsen, J; Jorgensen, P; Helgaker, T
      Direct optimization of the atomic-orbital density matrix using the conjugate-gradient method with a multilevel preconditioner

      JOURNAL OF CHEMICAL PHYSICS
    5. Shao, YH; White, CA; Head-Gordon, M
      Efficient evaluation of the Coulomb force in density-functional theory calculations

      JOURNAL OF CHEMICAL PHYSICS
    6. Beck, TL
      Real-space mesh techniques in density-functional theory

      REVIEWS OF MODERN PHYSICS
    7. Chen, GH; Yokojima, S; Liang, WZ; Wang, XJ
      Localized-density-matrix method and its application to nanomaterials

      PURE AND APPLIED CHEMISTRY
    8. Larsen, H; Jorgensen, P; Olsen, J; Helgaker, T
      Hartree-Fock and Kohn-Sham atomic-orbital based time-dependent response theory

      JOURNAL OF CHEMICAL PHYSICS
    9. Baldridge, KK; Jonas, V
      Implementation and refinement of the modified-conductorlike screening quantum mechanical solvation model at the MP2 level

      JOURNAL OF CHEMICAL PHYSICS
    10. Helgaker, T; Larsen, H; Olsen, J; Jorgensen, P
      Direct optimization of the AO density matrix in Hartree-Fock and Kohn-Shamtheories

      CHEMICAL PHYSICS LETTERS
    11. Evdokimov, AG; Kalb, AJ; Koetzle, TF; Klooster, WT; Martin, JML
      Structures of furanosides: Density functional calculations and high-resolution X-ray and neutron diffraction crystal structures

      JOURNAL OF PHYSICAL CHEMISTRY A
    12. Friesner, RA; Murphy, RB; Beachy, MD; Ringnalda, MN; Pollard, WT; Dunietz, BD; Cao, YX
      Correlated ab initio electronic structure calculations for large molecules

      JOURNAL OF PHYSICAL CHEMISTRY A
    13. Topol, IA; Tawa, GJ; Burt, SK; Rashin, AA
      On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model

      JOURNAL OF CHEMICAL PHYSICS
    14. Jacquemin, D; Andre, JM; Champagne, B
      Long-range effects in optimizing the geometry of stereoregular polymers. I. Formalism

      JOURNAL OF CHEMICAL PHYSICS
    15. Wilson, S
      On the application of hierarchical orthogonality restrictions to spin-coupled wave functions

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    16. Lee, AM; Gill, PMW
      Computation of Coulomb and exchange radial intracule densities

      CHEMICAL PHYSICS LETTERS
    17. SCHWEGLER E; CHALLACOMBE M; HEADGORDON M
      A MULTIPOLE ACCEPTABILITY CRITERION FOR ELECTRONIC-STRUCTURE THEORY

      The Journal of chemical physics


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 21/10/20 alle ore 10:55:29