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 *

149 related articles for article (PubMed ID: 16759129)

  • 1. Accurate inertias for large-amplitude motions: improvements on prevailing approximations.
    Wong BM; Thom RL; Field RW
    J Phys Chem A; 2006 Jun; 110(23):7406-13. PubMed ID: 16759129
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Thermodynamic calculations for molecules with asymmetric internal rotors--application to 1,3-butadiene.
    Wong BM; Raman S
    J Comput Chem; 2007 Mar; 28(4):759-66. PubMed ID: 17226834
    [TBL] [Abstract][Full Text] [Related]  

  • 3. An extended hindered-rotor model with incorporation of Coriolis and vibrational-rotational coupling for calculating partition functions and derived quantities.
    Vansteenkiste P; Van Neck D; Van Speybroeck V; Waroquier M
    J Chem Phys; 2006 Jan; 124(4):044314. PubMed ID: 16460169
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Rovibrational molecular hamiltonian in mixed bond-angle and umbrella-like coordinates.
    Makarewicz J; Skalozub A
    J Phys Chem A; 2007 Aug; 111(32):7860-9. PubMed ID: 17637044
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The fourth age of quantum chemistry: molecules in motion.
    Császár AG; Fábri C; Szidarovszky T; Mátyus E; Furtenbacher T; Czakó G
    Phys Chem Chem Phys; 2012 Jan; 14(3):1085-106. PubMed ID: 21997300
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Adiabatic approximations to internal rotation.
    Allen WD; Bodi A; Szalay V; Császár AG
    J Chem Phys; 2006 Jun; 124(22):224310. PubMed ID: 16784277
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Rovibrational energy levels of hydrogen peroxide, studied by MULTIMODE with a reaction path Hamiltonian.
    Carter S; Handy NC
    Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jul; 60(8-9):2107-11. PubMed ID: 15248993
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Calculation of the tau dependence of the vibration-internal rotation-overall rotation interactions in CH3OH from molecular structure and molecular dynamics.
    Quade CR
    J Chem Phys; 2005 May; 122(20):204306. PubMed ID: 15945723
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Automatic differentiation method for numerical construction of the rotational-vibrational Hamiltonian as a power series in the curvilinear internal coordinates using the Eckart frame.
    Yachmenev A; Yurchenko SN
    J Chem Phys; 2015 Jul; 143(1):014105. PubMed ID: 26156463
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Rotating full- and reduced-dimensional quantum chemical models of molecules.
    Fábri C; Mátyus E; Császár AG
    J Chem Phys; 2011 Feb; 134(7):074105. PubMed ID: 21341826
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Kinetic energy operators in linearized internal coordinates.
    Pesonen J
    J Chem Phys; 2008 Jan; 128(4):044319. PubMed ID: 18247961
    [TBL] [Abstract][Full Text] [Related]  

  • 12. High-precision quantum thermochemistry on nonquasiharmonic potentials: converged path-integral free energies and a systematically convergent family of generalized Pitzer-Gwinn approximations.
    Lynch VA; Mielke SL; Truhlar DG
    J Phys Chem A; 2005 Nov; 109(44):10092-9. PubMed ID: 16838929
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Statistical thermodynamics of bond torsional modes: tests of separable, almost-separable, and improved Pitzer-Gwinn approximations.
    Ellingson BA; Lynch VA; Mielke SL; Truhlar DG
    J Chem Phys; 2006 Aug; 125(8):084305. PubMed ID: 16965010
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantum-instanton evaluation of the kinetic isotope effects.
    Vanícek J; Miller WH; Castillo JF; Aoiz FJ
    J Chem Phys; 2005 Aug; 123(5):054108. PubMed ID: 16108632
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Numerically constructed internal-coordinate Hamiltonian with Eckart embedding and its application for the inversion tunneling of ammonia.
    Fábri C; Mátyus E; Császár AG
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Feb; 119():84-9. PubMed ID: 23702049
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent Hartree (MCTDH) approach.
    Sadri K; Lauvergnat D; Gatti F; Meyer HD
    J Chem Phys; 2014 Sep; 141(11):114101. PubMed ID: 25240339
    [TBL] [Abstract][Full Text] [Related]  

  • 17. On the direct calculation of the free energy of quantization for molecular systems in the condensed phase.
    Geerke DP; Luber S; Marti KH; Van Gunsteren WF
    J Comput Chem; 2009 Mar; 30(4):514-23. PubMed ID: 18680218
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Vibration-Internal Rotation-Overall Rotation Interactions in CH(2)DOH and CHD(2)OH.
    Quade CR
    J Mol Spectrosc; 1999 Dec; 198(2):329-347. PubMed ID: 10547315
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Understanding nuclear motions in molecules: Derivation of Eckart frame ro-vibrational Hamiltonian operators via a gateway Hamiltonian operator.
    Szalay V
    J Chem Phys; 2015 May; 142(17):174107. PubMed ID: 25956090
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Molecular dynamics integration and molecular vibrational theory. I. New symplectic integrators.
    Janezic D; Praprotnik M; Merzel F
    J Chem Phys; 2005 May; 122(17):174101. PubMed ID: 15910017
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.