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 *

317 related articles for article (PubMed ID: 21639458)

  • 1. Vibrational and thermodynamic properties of β-HMX: a first-principles investigation.
    Wu Z; Kalia RK; Nakano A; Vashishta P
    J Chem Phys; 2011 May; 134(20):204509. PubMed ID: 21639458
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions.
    Shimojo F; Wu Z; Nakano A; Kalia RK; Vashishta P
    J Chem Phys; 2010 Mar; 132(9):094106. PubMed ID: 20210388
    [TBL] [Abstract][Full Text] [Related]  

  • 3. First-principles study of high-pressure behavior of solid beta-HMX.
    Cui HL; Ji GF; Chen XR; Zhu WH; Zhao F; Wen Y; Wei DQ
    J Phys Chem A; 2010 Jan; 114(2):1082-92. PubMed ID: 20028003
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Density, structure, and dynamics of water: the effect of van der Waals interactions.
    Wang J; Román-Pérez G; Soler JM; Artacho E; Fernández-Serra MV
    J Chem Phys; 2011 Jan; 134(2):024516. PubMed ID: 21241129
    [TBL] [Abstract][Full Text] [Related]  

  • 5. First-principles elastic and thermal properties of TiO2: a phonon approach.
    Shojaee E; Mohammadizadeh MR
    J Phys Condens Matter; 2010 Jan; 22(1):015401. PubMed ID: 21386223
    [TBL] [Abstract][Full Text] [Related]  

  • 6. First-principles calculations on thermodynamic properties of BaTiO3 rhombohedral phase.
    Bandura AV; Evarestov RA
    J Comput Chem; 2012 Jul; 33(18):1554-63. PubMed ID: 22514059
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Local and semilocal density functional computations for crystals of 1-alkyl-3-methyl-imidazolium salts.
    Del Pópolo MG; Pinilla C; Ballone P
    J Chem Phys; 2007 Apr; 126(14):144705. PubMed ID: 17444730
    [TBL] [Abstract][Full Text] [Related]  

  • 8. First-principles calculations of the structural and dynamic properties, and the equation of state of crystalline iodine oxides I2O4, I2O5, and I2O6.
    Wu Z; Kalia RK; Nakano A; Vashishta P
    J Chem Phys; 2011 May; 134(20):204501. PubMed ID: 21639450
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ab initio equation of state of the organic molecular crystal: beta-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine.
    Zerilli FJ; Kuklja MM
    J Phys Chem A; 2010 Apr; 114(16):5372-6. PubMed ID: 20364852
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Characterization of platinum nitride from first-principles calculations.
    Yildiz A; Akinci U; Gülseren O; Sökmen I
    J Phys Condens Matter; 2009 Dec; 21(48):485403. PubMed ID: 21832517
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A van der Waals density functional study of ice Ih.
    Hamada I
    J Chem Phys; 2010 Dec; 133(21):214503. PubMed ID: 21142304
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab initio thermodynamics and phase diagram of solid magnesium: a comparison of the LDA and GGA.
    Mehta S; Price GD; Alfè D
    J Chem Phys; 2006 Nov; 125(19):194507. PubMed ID: 17129123
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Test of a nonempirical density functional: short-range part of the van der Waals interaction in rare-gas dimers.
    Tao J; Perdew JP
    J Chem Phys; 2005 Mar; 122(11):114102. PubMed ID: 15836196
    [TBL] [Abstract][Full Text] [Related]  

  • 14. GGA versus van der Waals density functional results for mixed gold/mercury molecules and pure Au and Hg cluster properties.
    Fernández EM; Balbás LC
    Phys Chem Chem Phys; 2011 Dec; 13(46):20863-70. PubMed ID: 22006277
    [TBL] [Abstract][Full Text] [Related]  

  • 15. On how differently the quasi-harmonic approximation works for two isostructural crystals: thermal properties of periclase and lime.
    Erba A; Shahrokhi M; Moradian R; Dovesi R
    J Chem Phys; 2015 Jan; 142(4):044114. PubMed ID: 25637976
    [TBL] [Abstract][Full Text] [Related]  

  • 16. First-principles calculations of mechanical and thermodynamic properties of tetragonal Be
    Liu X; Feng Q; Tang B; Zheng J; Zheng Z; Zhou W; Tian J; Wang J
    RSC Adv; 2019 Feb; 9(10):5302-5312. PubMed ID: 35515957
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Phonon stability, electronic structure results, mechanical and thermodynamic properties of RbSbO
    Dar SA; Sharma R; Mishra AK
    J Mol Graph Model; 2019 Jul; 90():120-127. PubMed ID: 31075658
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Predicting Molecular Crystal Properties from First Principles: Finite-Temperature Thermochemistry to NMR Crystallography.
    Beran GJ; Hartman JD; Heit YN
    Acc Chem Res; 2016 Nov; 49(11):2501-2508. PubMed ID: 27754668
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Understanding the role of vibrations, exact exchange, and many-body van der Waals interactions in the cohesive properties of molecular crystals.
    Reilly AM; Tkatchenko A
    J Chem Phys; 2013 Jul; 139(2):024705. PubMed ID: 23862957
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Density functional theory investigation of the phonon instability, thermal equation of state and melting curve of Mo.
    Zeng ZY; Hu CE; Chen XR; Zhang XL; Cai LC; Jing FQ
    Phys Chem Chem Phys; 2011 Jan; 13(4):1669-75. PubMed ID: 21103579
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 16.