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 *

382 related articles for article (PubMed ID: 21413111)

  • 1. Assigning predissociation infrared spectra of microsolvated hydronium cations H3O(+)⋅(H2)n (n=0, 1, 2, 3) by ab initio molecular dynamics.
    Baer M; Marx D; Mathias G
    Chemphyschem; 2011 Jul; 12(10):1906-15. PubMed ID: 21413111
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Hydrogen bond dynamics of histamine monocation in aqueous solution: Car-Parrinello molecular dynamics and vibrational spectroscopy study.
    Stare J; Mavri J; Grdadolnik J; Zidar J; Maksić ZB; Vianello R
    J Phys Chem B; 2011 May; 115(19):5999-6010. PubMed ID: 21517054
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Quantum vibrational analysis and infrared spectra of microhydrated sodium ions using an ab initio potential.
    Kamarchik E; Wang Y; Bowman JM
    J Chem Phys; 2011 Mar; 134(11):114311. PubMed ID: 21428623
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Infrared spectroscopy and hydrogen-bond dynamics of liquid water from centroid molecular dynamics with an ab initio-based force field.
    Paesani F; Xantheas SS; Voth GA
    J Phys Chem B; 2009 Oct; 113(39):13118-30. PubMed ID: 19722542
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
    Stare J; Panek J; Eckert J; Grdadolnik J; Mavri J; Hadzi D
    J Phys Chem A; 2008 Feb; 112(7):1576-86. PubMed ID: 18225869
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Al3+, Ca2+, Mg2+, and Li+ in aqueous solution: calculated first-shell anharmonic OH vibrations at 300 K.
    Pejov L; Spångberg D; Hermansson K
    J Chem Phys; 2010 Nov; 133(17):174513. PubMed ID: 21054057
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Vibrational dynamics of the hydrogen bond in H(2)S-HF: Fourier-transform-infrared spectra and ab initio theory.
    Asselin P; Soulard P; Madebène B; Esmail Alikhani M; Lewerenz M
    Phys Chem Chem Phys; 2006 Apr; 8(15):1785-93. PubMed ID: 16633663
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Two-dimensional infrared spectroscopy of intermolecular hydrogen bonds in the condensed phase.
    Elsaesser T
    Acc Chem Res; 2009 Sep; 42(9):1220-8. PubMed ID: 19425543
    [TBL] [Abstract][Full Text] [Related]  

  • 9. O-H stretch in phenol and its hydrogen-bonded complexes: band position and relaxation pathways.
    Petković M
    J Phys Chem A; 2012 Jan; 116(1):364-71. PubMed ID: 22188428
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation.
    Tanzi L; Ramondo F; Guidoni L
    J Phys Chem A; 2012 Oct; 116(41):10160-71. PubMed ID: 23004913
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Infrared photodissociation spectroscopy of H(+)(H2O)6·M(m) (M = Ne, Ar, Kr, Xe, H2, N2, and CH4): messenger-dependent balance between H3O(+) and H5O2(+) core isomers.
    Mizuse K; Fujii A
    Phys Chem Chem Phys; 2011 Apr; 13(15):7129-35. PubMed ID: 21399794
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Overtone vibrational spectroscopy in H2-H2O complexes: a combined high level theoretical ab initio, dynamical and experimental study.
    Ziemkiewicz MP; Pluetzer C; Nesbitt DJ; Scribano Y; Faure A; van der Avoird A
    J Chem Phys; 2012 Aug; 137(8):084301. PubMed ID: 22938227
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Infrared and electronic spectroscopy of benzene-ammonia cluster radical cations [C(6)H(6)(NH(3))(1,2)](+): observation of isolated and microsolvated σ-complexes.
    Mizuse K; Hasegawa H; Mikami N; Fujii A
    J Phys Chem A; 2010 Oct; 114(42):11060-9. PubMed ID: 20356087
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Infrared spectroscopy of perdeuterated protonated water clusters in the vicinity of the clathrate cage.
    Douberly GE; Ricks AM; Duncan MA
    J Phys Chem A; 2009 Jul; 113(30):8449-53. PubMed ID: 19580309
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Hydrogen bond effects in the vibrational spectra of 1,3-propanediol in acetonitrile: ab initio and experimental study.
    Muniz-Miranda F; Pagliai M; Cardini G; Righini R
    J Chem Phys; 2012 Dec; 137(24):244501. PubMed ID: 23277939
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Supercritical ammonia: a molecular dynamics simulation and vibrational spectroscopic investigation.
    Tassaing T; Soetens JC; Vyalov I; Kiselev M; Idrissi A
    J Chem Phys; 2010 Dec; 133(21):214505. PubMed ID: 21142306
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Eigen and Zundel forms of small protonated water clusters: structures and infrared spectra.
    Park M; Shin I; Singh NJ; Kim KS
    J Phys Chem A; 2007 Oct; 111(42):10692-702. PubMed ID: 17910422
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N(2)H(7) (+).
    García-Fernández P; García-Canales L; García-Lastra JM; Junquera J; Moreno M; Aramburu JA
    J Chem Phys; 2008 Sep; 129(12):124313. PubMed ID: 19045029
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Infrared spectroscopy of Cu+(H2O)(n) and Ag+(H2O)(n): coordination and solvation of noble-metal ions.
    Iino T; Ohashi K; Inoue K; Judai K; Nishi N; Sekiya H
    J Chem Phys; 2007 May; 126(19):194302. PubMed ID: 17523799
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 20.