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 *

699 related articles for article (PubMed ID: 21033777)

  • 21. 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]  

  • 22. A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules.
    Bruneval F; Hamed SM; Neaton JB
    J Chem Phys; 2015 Jun; 142(24):244101. PubMed ID: 26133404
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Electronic excitations of bulk LiCl from many-body perturbation theory.
    Jiang YF; Wang NP; Rohlfing M
    J Chem Phys; 2013 Dec; 139(21):214710. PubMed ID: 24320397
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Investigation of the electronic spectra and excited-state geometries of poly(para-phenylene vinylene) (PPV) and poly(para-phenylene) (PP) by the symmetry-adapted cluster configuration interaction (SAC-CI) method.
    Saha B; Ehara M; Nakatsuji H
    J Phys Chem A; 2007 Jun; 111(25):5473-81. PubMed ID: 17542562
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Intermediate state representation approach to physical properties of electronically excited molecules.
    Schirmer J; Trofimov AB
    J Chem Phys; 2004 Jun; 120(24):11449-64. PubMed ID: 15268179
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods.
    Zwijnenburg MA; Sousa C; Sokol AA; Bromley ST
    J Chem Phys; 2008 Jul; 129(1):014706. PubMed ID: 18624495
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Ab initio many-body investigation of structure and stability of two-fold rings in silicates.
    Mukhopadhyay AB; Dolg M; Oligschleger C
    J Chem Phys; 2004 May; 120(18):8734-9. PubMed ID: 15267804
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation.
    Palummo M; Hogan C; Sottile F; Bagalá P; Rubio A
    J Chem Phys; 2009 Aug; 131(8):084102. PubMed ID: 19725603
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Ab initio calculation of optical spectra of liquids: many-body effects in the electronic excitations of water.
    Garbuio V; Cascella M; Reining L; Sole RD; Pulci O
    Phys Rev Lett; 2006 Sep; 97(13):137402. PubMed ID: 17026073
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Equation-of-motion coupled-cluster study on exciton states of polyethylene with periodic boundary condition.
    Katagiri H
    J Chem Phys; 2005 Jun; 122(22):224901. PubMed ID: 15974710
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Ab initio theory for treating local electron excitations in molecules and its performance for computing optical properties.
    Miura M; Aoki Y
    J Comput Chem; 2009 Nov; 30(14):2213-30. PubMed ID: 19266480
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Ab initio quantum chemical investigation of the ground and excited states of salicylic acid dimer.
    Maheshwary S; Lourderaj U; Sathyamurthy N
    J Phys Chem A; 2006 Nov; 110(46):12662-9. PubMed ID: 17107118
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Quantum chemical study on UV-vis spectra of microhydrated iodine dimer radical anion.
    Pathak AK; Mukherjee T; Maity DK
    J Phys Chem A; 2010 Jan; 114(2):721-4. PubMed ID: 19842674
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrix.
    Greenman L; Mazziotti DA
    J Chem Phys; 2008 Mar; 128(11):114109. PubMed ID: 18361556
    [TBL] [Abstract][Full Text] [Related]  

  • 35. An efficient approach for ab initio energy calculation of biopolymers.
    Chen X; Zhang Y; Zhang JZ
    J Chem Phys; 2005 May; 122(18):184105. PubMed ID: 15918692
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Variation of optical spectra of water clusters with size from many-body Green's function theory.
    Wei M; Jin F; Chen T; Ma Y
    J Chem Phys; 2018 Jun; 148(22):224302. PubMed ID: 29907027
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Calculations of static and dynamic polarizabilities of excited states by means of density functional theory.
    Jansik B; Jonsson D; Sałek P; Agren H
    J Chem Phys; 2004 Oct; 121(16):7595-600. PubMed ID: 15485219
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Enabling ab initio Hessian and frequency calculations of large molecules.
    Rahalkar AP; Ganesh V; Gadre SR
    J Chem Phys; 2008 Dec; 129(23):234101. PubMed ID: 19102520
    [TBL] [Abstract][Full Text] [Related]  

  • 39. The electronic structure and optical response of rutile, anatase and brookite TiO2.
    Landmann M; Rauls E; Schmidt WG
    J Phys Condens Matter; 2012 May; 24(19):195503. PubMed ID: 22517072
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Time-dependent density-functional theory calculations of triplet-triplet absorption.
    Cronstrand P; Rinkevicius Z; Luo Y; Agren H
    J Chem Phys; 2005 Jun; 122(22):224104. PubMed ID: 15974648
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 35.