These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

147 related articles for article (PubMed ID: 23958801)

  • 1. Development and application of effective pairwise potentials for UO2(n+), NpO2(n+), PuO2(n+), and AmO2(n+) (n = 1, 2) ions with water.
    Pomogaev V; Tiwari SP; Rai N; Goff GS; Runde W; Schneider WF; Maginn EJ
    Phys Chem Chem Phys; 2013 Oct; 15(38):15954-63. PubMed ID: 23958801
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Oxidation studies of dipositive actinide ions, An2+ (An = Th, U, Np, Pu, Am) in the gas phase: synthesis and characterization of the isolated uranyl, neptunyl, and plutonyl ions UO2(2+)(g), NpO2(2+)(g), and PuO2(2+)(g).
    Gibson JK; Haire RG; Santos M; Marçalo J; Pires de Matos A
    J Phys Chem A; 2005 Mar; 109(12):2768-81. PubMed ID: 16833590
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Force field development for actinyl ions via quantum mechanical calculations: an approach to account for many body solvation effects.
    Rai N; Tiwari SP; Maginn EJ
    J Phys Chem B; 2012 Sep; 116(35):10885-97. PubMed ID: 22857380
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Dynamics of actinyl ions in water: a molecular dynamics simulation study.
    Tiwari SP; Rai N; Maginn EJ
    Phys Chem Chem Phys; 2014 May; 16(17):8060-9. PubMed ID: 24653997
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Extracting the Americyl Hydration from an Americium Cationic Mixture in Solution: A Combined X-ray Absorption Spectroscopy and Molecular Dynamics Study.
    Pérez-Conesa S; Martínez JM; Pappalardo RR; Sánchez Marcos E
    Inorg Chem; 2018 Jul; 57(14):8089-8097. PubMed ID: 29633839
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water.
    Reif MM; Hünenberger PH
    J Chem Phys; 2011 Apr; 134(14):144104. PubMed ID: 21495739
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Combining EXAFS and Computer Simulations to Refine the Structural Description of Actinyls in Water.
    Pérez-Conesa S; Martínez JM; Pappalardo RR; Marcos ES
    Molecules; 2020 Nov; 25(22):. PubMed ID: 33187172
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A Coupled EXAFS-Molecular Dynamics Study on PuO
    Raposo-Hernández G; Martínez JM; Pappalardo RR; Den Auwer C; Sánchez Marcos E
    Inorg Chem; 2022 Jun; 61(23):8703-8714. PubMed ID: 35616567
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A general study of actinyl hydration by molecular dynamics simulations using ab initio force fields.
    Pérez-Conesa S; Torrico F; Martínez JM; Pappalardo RR; Marcos ES
    J Chem Phys; 2019 Mar; 150(10):104504. PubMed ID: 30876364
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Oxo-exchange of gas-phase uranyl, neptunyl, and plutonyl with water and methanol.
    Lucena AF; Odoh SO; Zhao J; Marçalo J; Schreckenbach G; Gibson JK
    Inorg Chem; 2014 Feb; 53(4):2163-70. PubMed ID: 24484174
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Crown ether inclusion complexes of the early actinide elements, [AnO2(18-crown-6)]n+, An = U, Np, Pu and n = 1, 2: a relativistic density functional study.
    Shamov GA; Schreckenbach G; Martin RL; Hay PJ
    Inorg Chem; 2008 Mar; 47(5):1465-75. PubMed ID: 18225857
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Crown ether complexes of actinyls: a computational assessment of AnO
    Hu SX; Li WL; Dong L; Gibson JK; Li J
    Dalton Trans; 2017 Sep; 46(36):12354-12363. PubMed ID: 28891571
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
    Warren GL; Patel S
    J Chem Phys; 2007 Aug; 127(6):064509. PubMed ID: 17705614
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structure and dynamics of uranyl(VI) and plutonyl(VI) cations in ionic liquid/water mixtures via molecular dynamics simulations.
    Maerzke KA; Goff GS; Runde WH; Schneider WF; Maginn EJ
    J Phys Chem B; 2013 Sep; 117(37):10852-68. PubMed ID: 23964666
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ion solvation in water from molecular dynamics simulation with the ABEEM/MM force field.
    Yang ZZ; Li X
    J Phys Chem A; 2005 Apr; 109(16):3517-20. PubMed ID: 16839014
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Theoretical studies of UO2(H2O)n(2+), NpO2(H2O)n(+), and PuO2(H2O)n(2+) complexes (n=4-6) in aqueous solution and gas phase.
    Cao Z; Balasubramanian K
    J Chem Phys; 2005 Sep; 123(11):114309. PubMed ID: 16392561
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Magnetic resonance properties of actinyl carbonate complexes and plutonyl(VI)-tris-nitrate.
    Gendron F; Pritchard B; Bolvin H; Autschbach J
    Inorg Chem; 2014 Aug; 53(16):8577-92. PubMed ID: 25076216
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Development of new Cd2+ and Pb2+ Lennard-Jones parameters for liquid simulations.
    de Araujo AS; Sonoda MT; Piro OE; Castellano EE
    J Phys Chem B; 2007 Mar; 111(9):2219-24. PubMed ID: 17291025
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
    Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ
    J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The mechanism of water exchange in AmO2(H2O)5(2+) and in the isoelectronic UO2(H2O)5(+) and NpO2(H2O)5(2+) complexes as studied by quantum chemical methods.
    Vallet V; Privalov T; Wahlgren U; Grenthe I
    J Am Chem Soc; 2004 Jun; 126(25):7766-7. PubMed ID: 15212510
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.