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 *

463 related articles for article (PubMed ID: 26125325)

  • 1. Water in Hydration Shell of an Iodide Ion: Structure and Dynamics of Solute-Water Hydrogen Bonds and Vibrational Spectral Diffusion from First-Principles Simulations.
    Karmakar A; Chandra A
    J Phys Chem B; 2015 Jul; 119(27):8561-72. PubMed ID: 26125325
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl(-) ions.
    Mallik BS; Semparithi A; Chandra A
    J Chem Phys; 2008 Nov; 129(19):194512. PubMed ID: 19026071
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab initio molecular dynamics studies of hydrogen bonded structure, molecular motion, and frequency fluctuations of water in the vicinity of azide ions.
    Karmakar A; Chandra A
    J Chem Phys; 2015 Apr; 142(16):164505. PubMed ID: 25933772
    [TBL] [Abstract][Full Text] [Related]  

  • 4. First-Principles Simulation Study of Vibrational Spectral Diffusion and Hydrogen Bond Fluctuations in Aqueous Solution of N-Methylacetamide.
    Yadav VK; Chandra A
    J Phys Chem B; 2015 Jul; 119(30):9858-67. PubMed ID: 26191969
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Vibration Spectral Dynamics of Weakly Coordinating Water Molecules near an Anion: FPMD Simulations of an Aqueous Solution of Tetrafluoroborate.
    Biswas S; Mallik BS
    J Phys Chem B; 2019 Mar; 123(9):2135-2146. PubMed ID: 30759344
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A First-Principles Molecular Dynamics Study of the Solvation Shell Structure, Vibrational Spectra, Polarity, and Dynamics around a Nitrate Ion in Aqueous Solution.
    Yadav S; Choudhary A; Chandra A
    J Phys Chem B; 2017 Sep; 121(38):9032-9044. PubMed ID: 28915039
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Vibrational spectral diffusion and hydrogen bond dynamics in heavy water from first principles.
    Mallik BS; Semparithi A; Chandra A
    J Phys Chem A; 2008 Jun; 112(23):5104-12. PubMed ID: 18491881
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab Initio Molecular Dynamics Study of Aqueous Solutions of Magnesium and Calcium Nitrates: Hydration Shell Structure, Dynamics and Vibrational Echo Spectroscopy.
    Das B; Chandra A
    J Phys Chem B; 2022 Jan; 126(2):528-544. PubMed ID: 35001626
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Vibrational spectral diffusion in supercritical D2O from first principles: an interplay between the dynamics of hydrogen bonds, dangling OD groups, and inertial rotation.
    Mallik BS; Chandra A
    J Phys Chem A; 2008 Dec; 112(51):13518-27. PubMed ID: 19093822
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Structural and Dynamical Nature of Hydration Shells of the Carbonate Ion in Water: An Ab Initio Molecular Dynamics Study.
    Yadav S; Chandra A
    J Phys Chem B; 2018 Feb; 122(4):1495-1504. PubMed ID: 29301399
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Dynamics of supercritical methanol of varying density from first principles simulations: hydrogen bond fluctuations, vibrational spectral diffusion, and orientational relaxation.
    Yadav VK; Chandra A
    J Chem Phys; 2013 Jun; 138(22):224501. PubMed ID: 23781799
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab initio and classical molecular dynamics studies of the structural and dynamical behavior of water near a hydrophobic graphene sheet.
    Rana MK; Chandra A
    J Chem Phys; 2013 May; 138(20):204702. PubMed ID: 23742495
    [TBL] [Abstract][Full Text] [Related]  

  • 13. An ab initio molecular dynamics study of the liquid-vapor interface of an aqueous NaCl solution: inhomogeneous density, polarity, hydrogen bonds, and frequency fluctuations of interfacial molecules.
    Choudhuri JR; Chandra A
    J Chem Phys; 2014 Nov; 141(19):194705. PubMed ID: 25416903
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: structural, electronic, and dynamical properties.
    Pratihar S; Chandra A
    J Chem Phys; 2011 Jan; 134(2):024519. PubMed ID: 21241132
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ultrafast dynamics of hydrogen bond exchange in aqueous ionic solutions.
    Park S; Odelius M; Gaffney KJ
    J Phys Chem B; 2009 Jun; 113(22):7825-35. PubMed ID: 19435307
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Dynamics and Spectral Response of Water Molecules around Tetramethylammonium Cation.
    Biswas A; Priyadarsini A; Mallik BS
    J Phys Chem B; 2019 Oct; 123(41):8753-8766. PubMed ID: 31545605
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab Initio Molecular Dynamics Simulation of the Phosphate Ion in Water: Insights into Solvation Shell Structure, Dynamics, and Kosmotropic Activity.
    Sharma B; Chandra A
    J Phys Chem B; 2017 Nov; 121(46):10519-10529. PubMed ID: 29086573
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Hydrogen bonded structure and dynamics of liquid-vapor interface of water-ammonia mixture: an ab initio molecular dynamics study.
    Chakraborty D; Chandra A
    J Chem Phys; 2011 Sep; 135(11):114510. PubMed ID: 21950874
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Vibrational and orientational dynamics of water in aqueous hydroxide solutions.
    Hunger J; Liu L; Tielrooij KJ; Bonn M; Bakker H
    J Chem Phys; 2011 Sep; 135(12):124517. PubMed ID: 21974545
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 24.