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 *

403 related articles for article (PubMed ID: 17253675)

  • 1. Ab initio based potential energy surfaces and Franck-Condon analysis of ionization thresholds of cyclic-C3H and linear-C3H.
    Wang Y; Braams BJ; Bowman JM
    J Phys Chem A; 2007 May; 111(19):4056-61. PubMed ID: 17253675
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio potential energy and dipole moment surfaces for H5O2 +.
    Huang X; Braams BJ; Bowman JM
    J Chem Phys; 2005 Jan; 122(4):44308. PubMed ID: 15740249
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI; Erhardt PW
    J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Anchoring the potential energy surface of the cyclic water trimer.
    Anderson JA; Crager K; Fedoroff L; Tschumper GS
    J Chem Phys; 2004 Dec; 121(22):11023-9. PubMed ID: 15634052
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Ab initio potential energy and dipole moment surfaces of (H2O)2.
    Huang X; Braams BJ; Bowman JM
    J Phys Chem A; 2006 Jan; 110(2):445-51. PubMed ID: 16405316
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer.
    Wang Y; Huang X; Shepler BC; Braams BJ; Bowman JM
    J Chem Phys; 2011 Mar; 134(9):094509. PubMed ID: 21384987
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium.
    Yurchenko SN; Zheng J; Lin H; Jensen P; Thiel W
    J Chem Phys; 2005 Oct; 123(13):134308. PubMed ID: 16223289
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A new method to calculate Franck-Condon factors of multidimensional harmonic oscillators including the Duschinsky effect.
    Chang JL
    J Chem Phys; 2008 May; 128(17):174111. PubMed ID: 18465914
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Accurate ab initio predictions of ionization energies and heats of formation for the 2-propyl, phenyl, and benzyl radicals.
    Lau KC; Ng CY
    J Chem Phys; 2006 Jan; 124(4):044323. PubMed ID: 16460178
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
    Czakó G; Braams BJ; Bowman JM
    J Phys Chem A; 2008 Aug; 112(32):7466-72. PubMed ID: 18651724
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio and direct quasiclassical-trajectory study of the Cl + CH4-->HCl + CH3 reaction.
    Troya D; Weiss PJ
    J Chem Phys; 2006 Feb; 124(7):74313. PubMed ID: 16497042
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab initio global potential-energy surface for H5(+) --> H3(+) + H2.
    Xie Z; Braams BJ; Bowman JM
    J Chem Phys; 2005 Jun; 122(22):224307. PubMed ID: 15974668
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Full-dimensional, ab initio potential energy and dipole moment surfaces for water.
    Wang Y; Shepler BC; Braams BJ; Bowman JM
    J Chem Phys; 2009 Aug; 131(5):054511. PubMed ID: 19673578
    [TBL] [Abstract][Full Text] [Related]  

  • 14. An ab initio based global potential energy surface describing CH5+ --> CH3+ + H2.
    Jin Z; Braams BJ; Bowman JM
    J Phys Chem A; 2006 Feb; 110(4):1569-74. PubMed ID: 16435818
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ab initio and analytic intermolecular potentials for Ar-CF4.
    Vayner G; Alexeev Y; Wang J; Windus TL; Hase WL
    J Phys Chem A; 2006 Mar; 110(9):3174-8. PubMed ID: 16509641
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The hydrogen abstraction reaction H + CH4. I. New analytical potential energy surface based on fitting to ab initio calculations.
    Corchado JC; Bravo JL; Espinosa-Garcia J
    J Chem Phys; 2009 May; 130(18):184314. PubMed ID: 19449928
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Theoretical prediction of the ionization energies of the C4H7 radicals: 1-methylallyl, 2-methylallyl, cyclopropylmethyl, and cyclobutyl radicals.
    Lau KC; Zheng W; Wong NB; Li WK
    J Chem Phys; 2007 Oct; 127(15):154302. PubMed ID: 17949144
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Ab initio calculations on SCl2 and low-lying cationic states of SCl2+: Franck-Condon simulation of the UV photoelectron spectrum of SCl2.
    Mok DK; Chau FT; Lee EP; Dyke JM
    J Chem Phys; 2006 Sep; 125(10):104303. PubMed ID: 16999522
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Franck-Condon simulation of the photoelectron spectrum of AsF2 and the photodetachment spectrum of AsF2(-) using ab initio calculations: ionization energy and electron affinity of AsF2.
    Mok DK; Lee EP; Chau FT; Dyke JM
    Phys Chem Chem Phys; 2010 Aug; 12(31):9075-87. PubMed ID: 20532314
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Accurate intermolecular ground state potential of the Ne-N2 van der Waals complex.
    Munteanu CR; López Cacheiro J; Fernández B
    J Chem Phys; 2004 May; 120(19):9104-12. PubMed ID: 15267846
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 21.