Näytetään aineistoja, joilla on samankaltainen nimeke tai asiasanat.

• Self-assembly, virtual screening of a new cobalt complex : Synthesis, empirical, DFT calculations, biological activity investigations and identification of inhibitory activity on the main protease of COVID-19 and SARS-CoV2 by molecular docking strategy of (C6H6NF)2[Co(SCN)2] 

  Makhlouf, Jawher; El Bakri, Youness; Valkonen, Arto; Saravanan, Kandasamy; Ahmad, Sajjad; Al-Salahi, Rashad; Smirani, Wajda (Elsevier, 2024)

  The present work undertakes the study of a new thiocyanic complex (C6H6NF)2[Co(SCN)2], a synergy between the two experimental and theoretical approach allows us to characterize and evaluate our crystal. (C6H6NF)2[Co(SCN)2] ...

• Multi-configuration mixing approach designed for large scale nuclear structure calculations 

  Hjelt, Tuomas (2000)

  A new program, which is an advanced stage in the numerical implementation of a specific family of nuclear structure models, is developed. In this approach a many-body Hamiltonian is diagonalized in the configuration space ...

• A graph-based multigrid with applications 

  Pennanen, Anssi (University of Jyväskylä, 2010)

• A damping preconditioner for time-harmonic wave equations in fluid and elastic material 

  Airaksinen, Tuomas; Pennanen, Anssi; Toivanen, Jari (Elsevier, 2009)

  A physical damping is considered as a preconditioning technique for acoustic and elastic wave scattering. The earlier preconditioners for the Helmholtz equation are generalized for elastic materials and three-dimensional ...

• An algebraic multigrid based shifted-Laplacian preconditioner for the Helmholtz equation 

  Airaksinen, Tuomas; Heikkola, Erkki; Pennanen, Anssi; Toivanen, Jari (Elsevier, 2007)

  A preconditioner defined by an algebraic multigrid cycle for a damped Helmholtz operator is proposed for the Helmholtz equation. This approach is well suited for acoustic scattering problems in complicated computational ...