Ushbu ish iqtibos qilgan ishlar

102 ta ish

Ish: Self-assembly of bis-salphen compounds: from semiflexible chains to webs of nanorings

1. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

   Chengteh Lee, Weitao Yang, Robert G. Parr

   Maqola198884 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.025525

2. Density-functional thermochemistry. III. The role of exact exchange

   Axel D. Becke

   Maqola199374 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.027589

3. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

   Stefan Grimme

   Maqola200642 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.024809

4. Density-functional exchange-energy approximation with correct asymptotic behavior

   Axel D. Becke

   Maqola198825 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.025533

5. A climbing image nudged elastic band method for finding saddle points and minimum energy paths

   Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson

   Maqola200021 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.188837

6. The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

   José M. Soler, Emilio Artacho, Julian D. Gale +4

   Maqola200217 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.144388

7. Fast Parallel Algorithms for Short-Range Molecular Dynamics

   Steven J. Plimpton

   Maqola199515 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.135509

8. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

   Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen

   Maqola19779 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.010724

9. Accurate and simple analytic representation of the electron-gas correlation energy

   John P. Perdew, Yue Wang

   Maqola19925 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.329281

10. Development and testing of a general amber force field

    Junmei Wang, Romain M. Wolf, James W. Caldwell +2

    Maqola20045 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382457

11. Avoiding singularities and numerical instabilities in free energy calculations based on molecular simulations

    Thomas C. Beutler, Alan E. Mark, René C. van Schaik +2

    Maqola19942 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.040250

12. Automatic atom type and bond type perception in molecular mechanical calculations

    Junmei Wang, Wei Wang, Peter A. Kollman +1

    Maqola20062 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.264518

13. An approach to computing electrostatic charges for molecules

    U. Chandra Singh, Peter A. Kollman

    Maqola19842 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.266554

14. Efficient estimation of free energy differences from Monte Carlo data

    Charles H Bennett

    Maqola19762 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382452

15. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382398

16. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382399

17. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382400

18. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382401

19. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382402

20. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382403

21. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382404

22. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382405

23. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382406

24. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382407

25. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.382408