Ushbu ish iqtibos qilgan ishlar

55 ta ish

Ish: Ab initio molecular dynamics study of the interaction of plutonium with oxygen in the gas phase

1. Multiwfn: A multifunctional wavefunction analyzer

   Tian Lu, Feiwu Chen

   Maqola2011135 iqtibos

   ABIABI:AkademIndex/2026.other.016950

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

   Chengteh Lee, Weitao Yang, Robert G. Parr

   MaqolaOAOchiq kirish1988107 iqtibos

   ABIABI:AkademIndex/2026.other.025525

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

   Axel D. Becke

   Maqola199399 iqtibos

   ABIABI:AkademIndex/2026.other.027589

4. Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

   R. Krishnan, J. Stephen Binkley, Rolf Seeger +1

   Maqola198032 iqtibos

   ABIABI:AkademIndex/2026.other.027586

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

   Axel D. Becke

   Maqola198829 iqtibos

   ABIABI:AkademIndex/2026.other.025533

6. Toward reliable density functional methods without adjustable parameters: The PBE0 model

   Carlo Adamo, Vincenzo Barone

   Maqola199918 iqtibos

   ABIABI:AkademIndex/2026.other.202951

7. Formulation of the reaction coordinate

   Ken–ichi Fukui

   Maqola19709 iqtibos

   ABIABI:AkademIndex/2026.other.228900

8. Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

   Matthias Ernzerhof, Gustavo E. Scuseria

   Maqola19998 iqtibos

   ABIABI:AkademIndex/2026.other.120294

9. Generalized gradient approximation for the exchange-correlation hole of a many-electron system

   John P. Perdew, Kieron Burke, Yue Wang

   MaqolaOAOchiq kirish19966 iqtibos

   ABIABI:AkademIndex/2026.other.195647

10. Energy-adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide

    W. Küchle, Michael Dolg, Hermann Stoll +1

    Maqola19946 iqtibos

    ABIABI:AkademIndex/2026.other.367996

11. A new mixing of Hartree–Fock and local density-functional theories

    Axel D. Becke

    Maqola19935 iqtibos

    ABIABI:AkademIndex/2026.other.069944

12. Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca

    Jean‐Philippe Blaudeau, Mark P. McGrath, Larry A. Curtiss +1

    Maqola19974 iqtibos

    ABIABI:AkademIndex/2026.other.184131

13. A simple measure of electron localization in atomic and molecular systems

    Axel D. Becke, Kenneth E. Edgecombe

    Maqola19904 iqtibos

    ABIABI:AkademIndex/2026.other.184410

14. Gas-Phase Chemistry of Actinides Ions:  New Insights into the Reaction of UO⁺and UO²⁺with Water

    María del Carmen Michelini, Nino Russo, Emilia Sicilia

    Maqola20073 iqtibos

    ABIABI:AkademIndex/2026.other.413910

15. ELF: The Electron Localization Function

    Andreas Savin, Reinhard Nesper, Steffen Wengert +1

    Maqola19973 iqtibos

    ABIABI:AkademIndex/2026.other.413918

16. New developments in gas-phase actinide ion chemistry

    John K. Gibson, Joaquim Marçalo

    Maqola20052 iqtibos

    ABIABI:AkademIndex/2026.other.369837

17. Sarlavhasiz

    Boshqa2 iqtibos

    ABIABI:AkademIndex/2026.other.413912

18. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.413893

19. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.413894

20. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.413895

21. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.413896

22. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.413897

23. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.413898

24. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.413899

25. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.413900