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 *

167 related articles for article (PubMed ID: 32421323)

  • 21. Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model.
    Huix-Rotllant M; Filatov M; Gozem S; Schapiro I; Olivucci M; Ferré N
    J Chem Theory Comput; 2013 Sep; 9(9):3917-32. PubMed ID: 26592387
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response Methodology.
    Pomogaev V; Lee S; Shaik S; Filatov M; Choi CH
    J Phys Chem Lett; 2021 Oct; 12(40):9963-9972. PubMed ID: 34617764
    [TBL] [Abstract][Full Text] [Related]  

  • 23. The spin-unrestricted molecular Kohn-Sham solution and the analogue of Koopmans's theorem for open-shell molecules.
    Gritsenko OV; Baerends EJ
    J Chem Phys; 2004 May; 120(18):8364-72. PubMed ID: 15267759
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
    Gagliardi L; Truhlar DG; Li Manni G; Carlson RK; Hoyer CE; Bao JL
    Acc Chem Res; 2017 Jan; 50(1):66-73. PubMed ID: 28001359
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Accurate computation of X-ray absorption spectra with ionization potential optimized global hybrid functional.
    Jin Y; Bartlett RJ
    J Chem Phys; 2018 Aug; 149(6):064111. PubMed ID: 30111144
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Assessment of Density Functional Methods for Obtaining Geometries at Conical Intersections in Organic Molecules.
    Filatov M
    J Chem Theory Comput; 2013 Oct; 9(10):4526-4541. PubMed ID: 24124402
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil.
    Mai S; Mohamadzade A; Marquetand P; González L; Ullrich S
    Molecules; 2018 Nov; 23(11):. PubMed ID: 30388739
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Photoionization of furan from the ground and excited electronic states.
    Ponzi A; Sapunar M; Angeli C; Cimiraglia R; Došlić N; Decleva P
    J Chem Phys; 2016 Feb; 144(8):084307. PubMed ID: 26931702
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Probing rapidly-ionizing super-atom molecular orbitals in C60: a computational and femtosecond photoelectron spectroscopy study.
    Mignolet B; Johansson JO; Campbell EE; Remacle F
    Chemphyschem; 2013 Oct; 14(14):3332-40. PubMed ID: 23929667
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Koopmans-like approximation in the Kohn-Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional theory.
    Vargas R; Garza J; Cedillo A
    J Phys Chem A; 2005 Oct; 109(39):8880-92. PubMed ID: 16834292
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Ensemble density variational methods with self- and ghost-interaction-corrected functionals.
    Pastorczak E; Pernal K
    J Chem Phys; 2014 May; 140(18):18A514. PubMed ID: 24832322
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Exact ionization potentials from wavefunction asymptotics: the extended Koopmans' theorem, revisited.
    Vanfleteren D; Van Neck D; Ayers PW; Morrison RC; Bultinck P
    J Chem Phys; 2009 May; 130(19):194104. PubMed ID: 19466818
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Study of the photoelectron and electron momentum spectra of cyclopentene using benchmark Dyson orbital theories.
    Huang YR; Ning CG; Deng JK; Deleuze MS
    Phys Chem Chem Phys; 2008 May; 10(17):2374-89. PubMed ID: 18414729
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Avoided crossings, conical intersections, and low-lying excited states with a single reference method: the restricted active space spin-flip configuration interaction approach.
    Casanova D
    J Chem Phys; 2012 Aug; 137(8):084105. PubMed ID: 22938216
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Tuned Range-Separated Density Functional Theory and Dyson Orbital Formalism for Photoelectron Spectra.
    Möhle T; Bokareva OS; Grell G; Kühn O; Bokarev SI
    J Chem Theory Comput; 2018 Nov; 14(11):5870-5880. PubMed ID: 30240212
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Rydberg energies using excited state density functional theory.
    Cheng CL; Wu Q; Van Voorhis T
    J Chem Phys; 2008 Sep; 129(12):124112. PubMed ID: 19045011
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors.
    Thierbach A; Neiss C; Gallandi L; Marom N; Körzdörfer T; Görling A
    J Chem Theory Comput; 2017 Oct; 13(10):4726-4740. PubMed ID: 28783360
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Probing Electronic Wave Functions of Sodium-Doped Clusters: Dyson Orbitals, Anisotropy Parameters, and Ionization Cross-Sections.
    Gunina AO; Krylov AI
    J Phys Chem A; 2016 Dec; 120(49):9841-9856. PubMed ID: 27973800
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Steady and Time-Resolved Photoelectron Spectra Based on Nuclear Ensembles.
    Arbelo-González W; Crespo-Otero R; Barbatti M
    J Chem Theory Comput; 2016 Oct; 12(10):5037-5049. PubMed ID: 27588827
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Orthogonality constrained density functional theory for electronic excited states.
    Evangelista FA; Shushkov P; Tully JC
    J Phys Chem A; 2013 Aug; 117(32):7378-92. PubMed ID: 23590595
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.