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 *

131 related articles for article (PubMed ID: 32575079)

  • 1. Structural, elastic, vibrational and optical properties of energetic material octanitrocubane studied from first-principles theory.
    Mondal S; Vaitheeswaran G; Gupta MK; Mittal R
    J Phys Condens Matter; 2020 Jul; 32(42):. PubMed ID: 32575079
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structural, vibrational, and quasiparticle band structure of 1,1-diamino-2,2-dinitroethelene from ab initio calculations.
    Appalakondaiah S; Vaitheeswaran G; Lebègue S
    J Chem Phys; 2014 Jan; 140(1):014105. PubMed ID: 24410219
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Density functional study of electronic, bonding, and vibrational properties of Ca(NH2BH3)2.
    Lingam ChB; Babu KR; Tewari SP; Vaitheeswaran G
    J Comput Chem; 2012 Apr; 33(9):987-97. PubMed ID: 22331833
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane.
    Appalakondaiah S; Vaitheeswaran G; Lebègue S
    J Chem Phys; 2013 May; 138(18):184705. PubMed ID: 23676062
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Comparative DFT study of vibrational, electronic, and optical properties of energetic alkali metal salts based on nitrogen-rich 5-aminotetrazole.
    Jharapla PK; Mondal S; Vaitheeswaran G
    J Comput Chem; 2021 Jan; 42(3):180-191. PubMed ID: 33135252
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Guanine crystals: a first principles study.
    Ortmann F; Hannewald K; Bechstedt F
    J Phys Chem B; 2008 Feb; 112(5):1540-8. PubMed ID: 18197657
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Band Gap Opening in Borophene/GaN and Borophene/ZnO Van der Waals Heterostructures Using Axial Deformation: First-Principles Study.
    Slepchenkov MM; Kolosov DA; Nefedov IS; Glukhova OE
    Materials (Basel); 2022 Dec; 15(24):. PubMed ID: 36556727
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Unusual optical isotropy in anisotropic alkali metal perchlorates MClO
    Jharapla PK; Narsimha Rao E; Vaitheeswaran G
    J Phys Condens Matter; 2018 Nov; 30(47):475402. PubMed ID: 30387435
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Electronic structure and optical properties of nitrogen-doped antimonene under biaxial strain: first-principles study.
    Wei R; Liu G; Qian S; Su D; Zhang G
    J Mol Model; 2024 Apr; 30(5):143. PubMed ID: 38647715
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Density functional study of electronic structure, elastic and optical properties of MNH2 (M=Li, Na, K, Rb).
    Ramesh Babu K; Vaitheeswaran G
    J Phys Condens Matter; 2014 Jun; 26(23):235503. PubMed ID: 25932472
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Cubane and cubanoid: Structural, optoelectronic and thermodynamic properties from DFT and TD-DFT method.
    Barbosa LS; Moreira E; Lopes AR; Fonseca ALA; Azevedo DL
    J Mol Graph Model; 2021 Mar; 103():107820. PubMed ID: 33418467
    [TBL] [Abstract][Full Text] [Related]  

  • 12. First-principles prediction of infrared phonon and dielectric function in biaxial hyperbolic van der Waals crystal α-MoO
    Tong Z; Dumitrică T; Frauenheim T
    Phys Chem Chem Phys; 2021 Sep; 23(35):19627-19635. PubMed ID: 34524282
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Nanoscale surface dynamics of Bi
    Tamtögl A; Campi D; Bremholm M; Hedegaard EMJ; Iversen BB; Bianchi M; Hofmann P; Marzari N; Benedek G; Ellis J; Allison W
    Nanoscale; 2018 Aug; 10(30):14627-14636. PubMed ID: 30028450
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Study of the Elastic Properties of the Energetic Molecular Crystals Using Density Functionals with van der Waals Corrections.
    Fedorov IA; Nguyen CV; Prosekov AY
    ACS Omega; 2021 Jan; 6(1):642-648. PubMed ID: 33458516
    [TBL] [Abstract][Full Text] [Related]  

  • 15. New Assembly-Free Bulk Layered Inorganic Vertical Heterostructures with Infrared and Optical Bandgaps.
    Antoniuk ER; Cheon G; Krishnapriyan A; Rehn DA; Zhou Y; Reed EJ
    Nano Lett; 2019 Jan; 19(1):142-149. PubMed ID: 30525679
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Unveiling the structural, dynamical, elastic, and electronic properties of cuboid silver tetrathiotungstate by means of
    Ould-Mohamed M; Ouahrani T; Muñoz A; Errandonea D
    J Phys Condens Matter; 2022 Jul; 34(38):. PubMed ID: 35817028
    [TBL] [Abstract][Full Text] [Related]  

  • 17. DFT Calculations with van der Waals Interactions of Hydrated Calcium Carbonate Crystals CaCO3·(H2O, 6H2O): Structural, Electronic, Optical, and Vibrational Properties.
    Costa SN; Freire VN; Caetano EW; Maia FF; Barboza CA; Fulco UL; Albuquerque EL
    J Phys Chem A; 2016 Jul; 120(28):5752-65. PubMed ID: 27409458
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structures, mechanical properties, equations of state, and electronic properties of β-HMX under hydrostatic pressures: a DFT-D2 study.
    Peng Q; Rahul ; Wang G; Liu GR; De S
    Phys Chem Chem Phys; 2014 Oct; 16(37):19972-83. PubMed ID: 25159551
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Effects of boron doping on structural, electronic, elastic, and optical properties of energetic crystal 2,6-diamino-3,5-dinitropyrazine-1-oxide: a theoretical study using the first principles calculation and Hirshfeld surface analysis.
    Wu Q; Li M; Hu Q; Zhang Z; Zhu W
    J Mol Model; 2020 Feb; 26(3):41. PubMed ID: 32009197
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 7.