3609 related articles for article (PubMed ID: 19026071)
1. 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]
2. 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]
3. 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]
4. 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]
5. 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]
6. 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]
7. 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]
8. Dynamics of halide ion-water hydrogen bonds in aqueous solutions: dependence on ion size and temperature.
Chowdhuri S; Chandra A
J Phys Chem B; 2006 May; 110(19):9674-80. PubMed ID: 16686518
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Hydrogen bond and residence dynamics of ion-water and water-water pairs in supercritical aqueous ionic solutions: dependence on ion size and density.
Mallik BS; Chandra A
J Chem Phys; 2006 Dec; 125(23):234502. PubMed ID: 17190562
[TBL] [Abstract][Full Text] [Related]
11. Effect of ionic solutes on the hydrogen bond network dynamics of water: power spectral analysis of aqueous NaCl solutions.
Mudi A; Chakravarty C
J Phys Chem B; 2006 Apr; 110(16):8422-31. PubMed ID: 16623528
[TBL] [Abstract][Full Text] [Related]
12. Ion solvation and water structure in potassium halide aqueous solutions.
Soper AK; Weckström K
Biophys Chem; 2006 Dec; 124(3):180-91. PubMed ID: 16698172
[TBL] [Abstract][Full Text] [Related]
13. Structure and dynamics of the hydration shells of the Al3+ ion.
Bylaska EJ; Valiev M; Rustad JR; Weare JH
J Chem Phys; 2007 Mar; 126(10):104505. PubMed ID: 17362073
[TBL] [Abstract][Full Text] [Related]
14. Structure and dynamics of Au+ ion in aqueous solution: ab initio QM/MM MD simulations.
Armunanto R; Schwenk CF; Tran HT; Rode BM
J Am Chem Soc; 2004 Mar; 126(8):2582-7. PubMed ID: 14982468
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. 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]
17. Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution.
Fatmi MQ; Hofer TS; Randolf BR; Rode BM
J Comput Chem; 2007 Jul; 28(10):1704-10. PubMed ID: 17342715
[TBL] [Abstract][Full Text] [Related]
18. Hydrogen bond fluctuations of the hydration shell of the bromide anion.
Timmer RL; Bakker HJ
J Phys Chem A; 2009 May; 113(21):6104-10. PubMed ID: 19456178
[TBL] [Abstract][Full Text] [Related]
19. Car-Parrinello molecular dynamics simulation of Fe 3+ (aq).
Amira S; Spångberg D; Zelin V; Probst M; Hermansson K
J Phys Chem B; 2005 Jul; 109(29):14235-42. PubMed ID: 16852787
[TBL] [Abstract][Full Text] [Related]
20. Dynamics of nanoscopic water: vibrational echo and infrared pump-probe studies of reverse micelles.
Piletic IR; Tan HS; Fayer MD
J Phys Chem B; 2005 Nov; 109(45):21273-84. PubMed ID: 16853758
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]