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 *

134 related articles for article (PubMed ID: 19588024)

  • 1. A direct ab initio molecular dynamics (MD) study on the benzophenone-water 1 : 1 complex.
    Tachikawa H; Iyama T; Kato K
    Phys Chem Chem Phys; 2009 Jul; 11(28):6008-14. PubMed ID: 19588024
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio theoretical calculations of the electronic excitation energies of small water clusters.
    Tachikawa H; Yabushita A; Kawasaki M
    Phys Chem Chem Phys; 2011 Dec; 13(46):20745-9. PubMed ID: 22005972
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Direct ab initio MD study on the interaction of hydroperoxy radical (HOO) with water molecules.
    Tachikawa H; Abe S
    Phys Chem Chem Phys; 2010 Apr; 12(15):3904-9. PubMed ID: 20358039
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Direct ab initio MD study on the electron capture dynamics of hydroperoxy radical (HOO)-water complexes.
    Tachikawa H
    J Phys Chem A; 2010 Apr; 114(14):4951-6. PubMed ID: 20302311
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Structures, energetics, vibrational spectra of NH4+ (H2O)(n=4,6) clusters: Ab initio calculations and first principles molecular dynamics simulations.
    Karthikeyan S; Singh JN; Park M; Kumar R; Kim KS
    J Chem Phys; 2008 Jun; 128(24):244304. PubMed ID: 18601329
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Ab Initio Calculation of the Electronic Transition Moments for Excited States of the H(2) Molecule.
    Drira I
    J Mol Spectrosc; 1999 Nov; 198(1):52-56. PubMed ID: 10527780
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Water complexes of styrene and 4-fluorostyrene: a combined electronic, vibrational spectroscopic and ab-initio investigation.
    Singh PC; Maity S; Patwari GN
    J Phys Chem A; 2008 Oct; 112(40):9702-7. PubMed ID: 18774785
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Electron hydration dynamics in water clusters: A direct ab initio molecular dynamics approach.
    Tachikawa H
    J Chem Phys; 2006 Oct; 125(14):144307. PubMed ID: 17042590
    [TBL] [Abstract][Full Text] [Related]  

  • 9. High-level ab initio studies of the electronic excited states of the hydroxyl radical and water-hydroxyl complex.
    Schofield DP; Kjaergaard HG
    J Chem Phys; 2004 Apr; 120(15):6930-4. PubMed ID: 15267591
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Caging effects on the ground and excited states of 2,2'-bipyridine-3,3'-diol embedded in cyclodextrins.
    Abou-Zied OK; Al-Hinai AT
    J Phys Chem A; 2006 Jun; 110(25):7835-40. PubMed ID: 16789770
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Alternative low-energy mechanisms for isotopic exchange in gas-phase D2O-H+(H2O)n reactions.
    Mella M; Ponti A
    Chemphyschem; 2006 Apr; 7(4):894-903. PubMed ID: 16596613
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Simulation of the photodeactivation of formamide in the nO-pi* and pi-pi* states: an ab initio on-the-fly surface-hopping dynamics study.
    Antol I; Eckert-Maksić M; Barbatti M; Lischka H
    J Chem Phys; 2007 Dec; 127(23):234303. PubMed ID: 18154378
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The benzophenone S1(n,pi*) --> T1(n,pi*) states intersystem crossing reinvestigated by ultrafast absorption spectroscopy and multivariate curve resolution.
    Aloïse S; Ruckebusch C; Blanchet L; Réhault J; Buntinx G; Huvenne JP
    J Phys Chem A; 2008 Jan; 112(2):224-31. PubMed ID: 18154275
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Electronic spectroscopy of the Au(6p)-Kr complex.
    Plowright RJ; Watkins MJ; Gardner AM; Wright TG; Breckenridge WH; Wallimann F; Leutwyler S
    J Chem Phys; 2008 Oct; 129(15):154315. PubMed ID: 19045201
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A CASPT2//CASSCF study of vertical and adiabatic electron transitions of acrolein in water solution.
    Losa AM; Galvan IF; Aguilar MA; Martín ME
    J Phys Chem B; 2007 Aug; 111(33):9864-70. PubMed ID: 17665941
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An ab initio calculation of the valence excitation spectrum of H2O...Cl2: comparison to condensed phase spectra.
    Franklin-Mergarejo R; Rubayo-Soneira J; Halberstadt N; Ayed T; Bernal Uruchurtu MI; Hernández-Lamoneda R; Janda KC
    J Phys Chem A; 2009 Jul; 113(26):7563-9. PubMed ID: 19419140
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ground state structures and excited state dynamics of pyrrole-water complexes: ab initio excited state molecular dynamics simulations.
    Kumar A; Kołaski M; Kim KS
    J Chem Phys; 2008 Jan; 128(3):034304. PubMed ID: 18205495
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab initio static and molecular dynamics study of the absorption spectra of the 4-styrylpyridine photoswitch in its cis and trans forms.
    Daku LM; Linares J; Boillot ML
    Phys Chem Chem Phys; 2010 Jun; 12(23):6107-23. PubMed ID: 20390192
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Collision induced complex formation following electron capture of SO2-H2O complex interacting with argon atoms.
    Tachikawa H
    J Phys Chem A; 2011 Aug; 115(33):9091-6. PubMed ID: 21761910
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Electronic and vibrational spectroscopy of 1-methylthymine and its water clusters: the dark state survives hydration.
    Busker M; Nispel M; Häber T; Kleinermanns K; Etinski M; Fleig T
    Chemphyschem; 2008 Aug; 9(11):1570-7. PubMed ID: 18618888
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.