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 *

119 related articles for article (PubMed ID: 37811877)

  • 1. Density-Corrected Density Functional Theory for Open Shells: How to Deal with Spin Contamination.
    Yu H; Song S; Nam S; Burke K; Sim E
    J Phys Chem Lett; 2023 Oct; 14(41):9230-9237. PubMed ID: 37811877
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Communication: ROHF theory made simple.
    Tsuchimochi T; Scuseria GE
    J Chem Phys; 2010 Oct; 133(14):141102. PubMed ID: 20949979
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Consequences of spin contamination in unrestricted calculations on open-shell species: effect of Hartree-Fock and Møller-Plesset contributions in hybrid and double-hybrid density functional theory approaches.
    Menon AS; Radom L
    J Phys Chem A; 2008 Dec; 112(50):13225-30. PubMed ID: 18759419
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Density-Corrected DFT Explained: Questions and Answers.
    Song S; Vuckovic S; Sim E; Burke K
    J Chem Theory Comput; 2022 Feb; 18(2):817-827. PubMed ID: 35048707
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Canonical form of the Hartree-Fock orbitals in open-shell systems.
    Plakhutin BN; Davidson ER
    J Chem Phys; 2014 Jan; 140(1):014102. PubMed ID: 24410216
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Quantifying and reducing spin contamination in algebraic diagrammatic construction theory of charged excitations.
    Stahl TL; Banerjee S; Sokolov AY
    J Chem Phys; 2022 Jul; 157(4):044106. PubMed ID: 35922343
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Polishing the Gold Standard: The Role of Orbital Choice in CCSD(T) Vibrational Frequency Prediction.
    Bertels LW; Lee J; Head-Gordon M
    J Chem Theory Comput; 2021 Feb; 17(2):742-755. PubMed ID: 33404238
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Density functional study of the S0 (X1Ag) and T1 (a3Au) states of the glyoxal molecule.
    Zelek S; Wasilewski J; Heldt J
    Comput Chem; 2000 May; 24(3-4):263-74. PubMed ID: 10815996
    [TBL] [Abstract][Full Text] [Related]  

  • 9. How Good Is the Density-Corrected SCAN Functional for Neutral and Ionic Aqueous Systems, and What Is So Right about the Hartree-Fock Density?
    Dasgupta S; Shahi C; Bhetwal P; Perdew JP; Paesani F
    J Chem Theory Comput; 2022 Aug; 18(8):4745-4761. PubMed ID: 35785808
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Improving Results by Improving Densities: Density-Corrected Density Functional Theory.
    Sim E; Song S; Vuckovic S; Burke K
    J Am Chem Soc; 2022 Apr; 144(15):6625-6639. PubMed ID: 35380807
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Simple and Efficient Route toward Improved Energetics within the Framework of Density-Corrected Density Functional Theory.
    Graf D; Thom AJW
    J Chem Theory Comput; 2023 Aug; 19(16):5427-5438. PubMed ID: 37525457
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations.
    Stahl TL; Sokolov AY
    J Chem Phys; 2024 May; 160(20):. PubMed ID: 38775244
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Electron affinities of p-benzoquinone, p-benzoquinone imine and p-benzoquinone diimine, and spin densities of their p-benzosemiquinones computed by several quantum chemical models.
    Mariam YH; Chantranupong L
    J Comput Aided Mol Des; 1997 Jul; 11(4):345-56. PubMed ID: 9334901
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFT.
    Yang K; Peverati R; Truhlar DG; Valero R
    J Chem Phys; 2011 Jul; 135(4):044118. PubMed ID: 21806101
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Density Sensitivity of Empirical Functionals.
    Song S; Vuckovic S; Sim E; Burke K
    J Phys Chem Lett; 2021 Jan; 12(2):800-807. PubMed ID: 33411542
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Qualitative breakdown of the unrestricted Hartree-Fock energy.
    Mori-Sánchez P; Cohen AJ
    J Chem Phys; 2014 Oct; 141(16):164124. PubMed ID: 25362289
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Restricted Open-Shell Hartree-Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings.
    Leyser da Costa Gouveia T; Maganas D; Neese F
    J Phys Chem A; 2024 Jun; 128(25):5041-5053. PubMed ID: 38886177
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Density functionals with broad applicability in chemistry.
    Zhao Y; Truhlar DG
    Acc Chem Res; 2008 Feb; 41(2):157-67. PubMed ID: 18186612
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.