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 *

347 related articles for article (PubMed ID: 19102520)

  • 41. Molecular (hyper)polarizabilities computed by pseudospectral methods.
    Cao Y; Friesner RA
    J Chem Phys; 2005 Mar; 122(10):104102. PubMed ID: 15836304
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Harmonizing accuracy and efficiency: A pragmatic approach to fragmentation of large molecules.
    Khire SS; Bartolotti LJ; Gadre SR
    J Chem Phys; 2018 Aug; 149(6):064112. PubMed ID: 30111143
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory.
    Rocca D; Lu D; Galli G
    J Chem Phys; 2010 Oct; 133(16):164109. PubMed ID: 21033777
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Facilitating Minima Search for Large Water Clusters at the MP2 Level via Molecular Tailoring.
    Furtado JP; Rahalkar AP; Shanker S; Bandyopadhyay P; Gadre SR
    J Phys Chem Lett; 2012 Aug; 3(16):2253-8. PubMed ID: 26295779
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Calculating interaction energies in transition metal complexes with local electron correlation methods.
    Hill JG; Platts JA
    J Chem Phys; 2008 Oct; 129(13):134101. PubMed ID: 19045072
    [TBL] [Abstract][Full Text] [Related]  

  • 46. One-electron electron-molecule potentials consistent with ab initio Møller-Plesset theory.
    Simons J
    J Phys Chem A; 2010 Aug; 114(33):8631-43. PubMed ID: 20380369
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Calibration of 119Sn isomer shift using ab initio wave function methods.
    Kurian R; Filatov M
    J Chem Phys; 2009 Mar; 130(12):124121. PubMed ID: 19334822
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix.
    Kobayashi M; Akama T; Nakai H
    J Chem Phys; 2006 Nov; 125(20):204106. PubMed ID: 17144689
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Ab initio wavenumber accurate spectroscopy: 1CH2 and HCN vibrational levels on automatically generated IMLS potential energy surfaces.
    Dawes R; Wagner AF; Thompson DL
    J Phys Chem A; 2009 Apr; 113(16):4709-21. PubMed ID: 19371124
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Ab initio studies on nanoscale friction between graphite layers: effect of model size and level of theory.
    Neitola R; Ruuska H; Pakkanen TA
    J Phys Chem B; 2005 May; 109(20):10348-54. PubMed ID: 16852254
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations.
    Mosey NJ; Liao P; Carter EA
    J Chem Phys; 2008 Jul; 129(1):014103. PubMed ID: 18624466
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Computation of the amide I band of polypeptides and proteins using a partial Hessian approach.
    Besley NA; Metcalf KA
    J Chem Phys; 2007 Jan; 126(3):035101. PubMed ID: 17249900
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Structure and energetics of ammonia clusters (NH3)n (n = 3-20) investigated using a rigid-polarizable model derived from ab initio calculations.
    Janeiro-Barral PE; Mella M; Curotto E
    J Phys Chem A; 2008 Apr; 112(13):2888-98. PubMed ID: 18303873
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Molecular tailoring approach in conjunction with MP2 and Ri-MP2 codes: A comparison with fragment molecular orbital method.
    Rahalkar AP; Katouda M; Gadre SR; Nagase S
    J Comput Chem; 2010 Oct; 31(13):2405-18. PubMed ID: 20652984
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method.
    Neese F; Wennmohs F; Hansen A
    J Chem Phys; 2009 Mar; 130(11):114108. PubMed ID: 19317532
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Evaluation of computational chemistry methods: crystallographic and cheminformatics analysis of aminothiazole methoximes.
    Ercanli T; Boyd DB
    J Chem Inf Model; 2005; 45(3):591-601. PubMed ID: 15921449
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Interaction of peroxyformic acid with water molecules: a first-principles study.
    Kulkarni AD; Rai D; Bartolotti LJ; Pathak RK
    J Phys Chem A; 2006 Oct; 110(42):11855-61. PubMed ID: 17048817
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Density functional theory investigation of the polarizability and second hyperpolarizability of polydiacetylene and polybutatriene chains: treatment of exact exchange and role of correlation.
    Champagne B; Bulat FA; Yang W; Bonness S; Kirtman B
    J Chem Phys; 2006 Nov; 125(19):194114. PubMed ID: 17129096
    [TBL] [Abstract][Full Text] [Related]  

  • 59. An ab initio investigation of 2-amino-2-imidazoline: a key moiety in chemical and biochemical processes.
    Carpy AJ; Marchand-Geneste N; Ouhabi J
    SAR QSAR Environ Res; 2001 Feb; 11(5-6):331-43. PubMed ID: 11328708
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Feasibility of density functional methods to predict dielectric properties of polymers.
    Ruuska H; Arola E; Kannus K; Rantala TT; Valkealahti S
    J Chem Phys; 2008 Feb; 128(6):064109. PubMed ID: 18282030
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 18.