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 *

143 related articles for article (PubMed ID: 21650200)

  • 1. Ab initio studies of aromatic excimers using multiconfiguration quasi-degenerate perturbation theory.
    Shirai S; Iwata S; Tani T; Inagaki S
    J Phys Chem A; 2011 Jul; 115(26):7687-99. PubMed ID: 21650200
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio molecular orbital study on the excited states of [2.2]-, [3.3]-, and siloxane-bridged paracyclophanes.
    Shirai S; Iwata S; Maegawa Y; Tani T; Inagaki S
    J Phys Chem A; 2012 Oct; 116(41):10194-202. PubMed ID: 23046357
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Aromatic Excimers: Ab Initio and TD-DFT Study.
    Kołaski M; Arunkumar CR; Kim KS
    J Chem Theory Comput; 2013 Jan; 9(1):847-56. PubMed ID: 26589075
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Potential energy surface for the benzene dimer and perturbational analysis of pi-pi interactions.
    Podeszwa R; Bukowski R; Szalewicz K
    J Phys Chem A; 2006 Aug; 110(34):10345-54. PubMed ID: 16928128
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical investigation of perylene dimers and excimers and their signatures in X-ray diffraction.
    Velardez GF; Lemke HT; Breiby DW; Nielsen MM; Møller KB; Henriksen NE
    J Phys Chem A; 2008 Sep; 112(35):8179-87. PubMed ID: 18690671
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory.
    Kołaski M; Kumar A; Singh NJ; Kim KS
    Phys Chem Chem Phys; 2011 Jan; 13(3):991-1001. PubMed ID: 21063580
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 8. High-level ab initio computations of structures and interaction energies of naphthalene dimers: origin of attraction and its directionality.
    Tsuzuki S; Honda K; Uchimaru T; Mikami M
    J Chem Phys; 2004 Jan; 120(2):647-59. PubMed ID: 15267899
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.
    Chao SW; Li AH; Chao SD
    J Comput Chem; 2009 Sep; 30(12):1839-49. PubMed ID: 19090563
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Physical origins of interactions in dimers of polycyclic aromatic hydrocarbons.
    Podeszwa R; Szalewicz K
    Phys Chem Chem Phys; 2008 May; 10(19):2735-46. PubMed ID: 18464989
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Theoretical study of the benzene excimer using time-dependent density functional theory.
    Amicangelo JC
    J Phys Chem A; 2005 Oct; 109(40):9174-82. PubMed ID: 16332027
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Well-balanced basis sets for second-order Møller-Plesset treatment of argon-aromatic molecule complexes.
    Makarewicz J
    J Chem Phys; 2004 Nov; 121(18):8755-68. PubMed ID: 15527339
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions.
    Nakano H; Uchiyama R; Hirao K
    J Comput Chem; 2002 Sep; 23(12):1166-75. PubMed ID: 12116386
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Accurate description of van der Waals complexes by density functional theory including empirical corrections.
    Grimme S
    J Comput Chem; 2004 Sep; 25(12):1463-73. PubMed ID: 15224390
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical study on exciton recurrence motion in anthracene dimer using the Ab initio MO-CI based quantum master equation approach.
    Kishi R; Nakano M; Minami T; Fukui H; Nagai H; Yoneda K; Takahashi H
    J Phys Chem A; 2009 May; 113(18):5455-62. PubMed ID: 19331381
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Spectroscopic study of CHBrF(2) up to 9500 cm(-1): Vibrational analysis, integrated band intensities, and ab initio calculations.
    Charmet AP; Stoppa P; Tasinato N; Baldan A; Giorgianni S; Gambi A
    J Chem Phys; 2010 Jul; 133(4):044310. PubMed ID: 20687653
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Spectroscopic (FTIR and FT Raman) analysis and vibrational study on 2,3-dimethyl naphthalene using ab-initio HF and DFT calculations.
    Prabhu T; Periandy S; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):566-74. PubMed ID: 21185771
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Accurate ab initio binding energies of the benzene dimer.
    Park YC; Lee JS
    J Phys Chem A; 2006 Apr; 110(15):5091-5. PubMed ID: 16610829
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Vibration-rotation-tunneling states of the benzene dimer: an ab initio study.
    van der Avoird A; Podeszwa R; Szalewicz K; Leforestier C; van Harrevelt R; Bunker PR; Schnell M; von Helden G; Meijer G
    Phys Chem Chem Phys; 2010 Aug; 12(29):8219-40. PubMed ID: 20485846
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Extending the molecular size in accurate quantum-chemical calculations: the equilibrium structure and spectroscopic properties of uracil.
    Puzzarini C; Barone V
    Phys Chem Chem Phys; 2011 Apr; 13(15):7189-97. PubMed ID: 21409277
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.