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 *

208 related articles for article (PubMed ID: 37811903)

  • 1. Semilocal Meta-GGA Exchange-Correlation Approximation from Adiabatic Connection Formalism: Extent and Limitations.
    Jana S; Śmiga S; Constantin LA; Samal P
    J Phys Chem A; 2023 Oct; 127(41):8685-8697. PubMed ID: 37811903
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Assessing the performance of the recent meta-GGA density functionals for describing the lattice constants, bulk moduli, and cohesive energies of alkali, alkaline-earth, and transition metals.
    Jana S; Sharma K; Samal P
    J Chem Phys; 2018 Oct; 149(16):164703. PubMed ID: 30384757
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Workhorse semilocal density functional for condensed matter physics and quantum chemistry.
    Perdew JP; Ruzsinszky A; Csonka GI; Constantin LA; Sun J
    Phys Rev Lett; 2009 Jul; 103(2):026403. PubMed ID: 19659225
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Performance of a nonempirical meta-generalized gradient approximation density functional for excitation energies.
    Tao J; Tretiak S; Zhu JX
    J Chem Phys; 2008 Feb; 128(8):084110. PubMed ID: 18315036
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Double-hybrid density-functional theory with meta-generalized-gradient approximations.
    Souvi SM; Sharkas K; Toulouse J
    J Chem Phys; 2014 Feb; 140(8):084107. PubMed ID: 24588148
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry.
    Furche F; Perdew JP
    J Chem Phys; 2006 Jan; 124(4):044103. PubMed ID: 16460145
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Assessing the performance of the Tao-Mo semilocal density functional in the projector-augmented-wave method.
    Jana S; Patra A; Samal P
    J Chem Phys; 2018 Jul; 149(4):044120. PubMed ID: 30068210
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions.
    Hao P; Sun J; Xiao B; Ruzsinszky A; Csonka GI; Tao J; Glindmeyer S; Perdew JP
    J Chem Theory Comput; 2013 Jan; 9(1):355-63. PubMed ID: 26589038
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Screened hybrid meta-GGA exchange-correlation functionals for extended systems.
    Jana S; Samal P
    Phys Chem Chem Phys; 2019 Feb; 21(6):3002-3015. PubMed ID: 30672528
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Meta-generalized gradient approximation: explanation of a realistic nonempirical density functional.
    Perdew JP; Tao J; Staroverov VN; Scuseria GE
    J Chem Phys; 2004 Apr; 120(15):6898-911. PubMed ID: 15267588
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accurate excitation energies of molecules and oligomers from a semilocal density functional.
    Tian G; Mo Y; Tao J
    J Chem Phys; 2017 Jun; 146(23):234102. PubMed ID: 28641440
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Testing the TPSS meta-generalized-gradient-approximation exchange-correlation functional in calculations of transition states and reaction barriers.
    Kanai Y; Wang X; Selloni A; Car R
    J Chem Phys; 2006 Dec; 125(23):234104. PubMed ID: 17190544
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals.
    Janthon P; Luo SA; Kozlov SM; Viñes F; Limtrakul J; Truhlar DG; Illas F
    J Chem Theory Comput; 2014 Sep; 10(9):3832-9. PubMed ID: 26588528
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules.
    Ruzsinszky A; Perdew JP; Csonka GI
    J Phys Chem A; 2005 Dec; 109(48):11006-14. PubMed ID: 16331944
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.
    Perdew JP; Ruzsinszky A; Tao J; Staroverov VN; Scuseria GE; Csonka GI
    J Chem Phys; 2005 Aug; 123(6):62201. PubMed ID: 16122287
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Solid-state performance of a meta-GGA screened hybrid density functional constructed from Pauli kinetic enhancement factor dependent semilocal exchange hole.
    Jana S; Constantin LA; Śmiga S; Samal P
    J Chem Phys; 2022 Jul; 157(2):024102. PubMed ID: 35840391
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Efficient yet accurate dispersion-corrected semilocal exchange-correlation functionals for non-covalent interactions.
    Patra A; Jana S; Constantin LA; Samal P
    J Chem Phys; 2020 Aug; 153(8):084117. PubMed ID: 32872861
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Improved transition metal surface energies from a generalized gradient approximation developed for quasi two-dimensional systems.
    Patra A; Jana S; Constantin LA; Chiodo L; Samal P
    J Chem Phys; 2020 Apr; 152(15):151101. PubMed ID: 32321265
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Applicability of density functional theory in reproducing accurate vibrational spectra of surface bound species.
    Matanović I; Atanassov P; Kiefer B; Garzon FH; Henson NJ
    J Comput Chem; 2014 Oct; 35(26):1921-9. PubMed ID: 25164265
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 11.