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 *

121 related articles for article (PubMed ID: 36319437)

  • 1. A perturbative approximation to DFT/MRCI: DFT/MRCI(2).
    Neville SP; Schuurman MS
    J Chem Phys; 2022 Oct; 157(16):164103. PubMed ID: 36319437
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Removing the Deadwood from DFT/MRCI Wave Functions: The p-DFT/MRCI Method.
    Neville SP; Schuurman MS
    J Chem Theory Comput; 2021 Dec; 17(12):7657-7665. PubMed ID: 34861111
    [TBL] [Abstract][Full Text] [Related]  

  • 3. On the performance of DFT/MRCI Hamiltonians for electronic excitations in transition metal complexes: The role of the damping function.
    Heil A; Kleinschmidt M; Marian CM
    J Chem Phys; 2018 Oct; 149(16):164106. PubMed ID: 30384728
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A DFT/MRCI Hamiltonian parameterized using only abĀ initio data: I. valence excited states.
    Costain TS; Ogden V; Neville SP; Schuurman MS
    J Chem Phys; 2024 Jun; 160(22):. PubMed ID: 38856682
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI.
    Seidu I; Neville SP; Kleinschmidt M; Heil A; Marian CM; Schuurman MS
    J Chem Phys; 2019 Oct; 151(14):144104. PubMed ID: 31615239
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Benchmarks for electronically excited states: time-dependent density functional theory and density functional theory based multireference configuration interaction.
    Silva-Junior MR; Schreiber M; Sauer SP; Thiel W
    J Chem Phys; 2008 Sep; 129(10):104103. PubMed ID: 19044904
    [TBL] [Abstract][Full Text] [Related]  

  • 7. SPOCK.CI: a multireference spin-orbit configuration interaction method for large molecules.
    Kleinschmidt M; Tatchen J; Marian CM
    J Chem Phys; 2006 Mar; 124(12):124101. PubMed ID: 16599656
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Redesign of the DFT/MRCI Hamiltonian.
    Lyskov I; Kleinschmidt M; Marian CM
    J Chem Phys; 2016 Jan; 144(3):034104. PubMed ID: 26801017
    [TBL] [Abstract][Full Text] [Related]  

  • 9. High-Multiplicity Natural Orbitals in Multireference Configuration Interaction for Excited States.
    Lu Z; Matsika S
    J Chem Theory Comput; 2012 Feb; 8(2):509-17. PubMed ID: 26596601
    [TBL] [Abstract][Full Text] [Related]  

  • 10. QM/MM study of the absorption spectra of DsRed.M1 chromophores.
    Sanchez-Garcia E; Doerr M; Thiel W
    J Comput Chem; 2010 Jun; 31(8):1603-12. PubMed ID: 20014299
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Assessing the density functional theory-based multireference configuration interaction (DFT/MRCI) method for transition metal complexes.
    Escudero D; Thiel W
    J Chem Phys; 2014 May; 140(19):194105. PubMed ID: 24852528
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A DFT/MRCI Hamiltonian parameterized using only abĀ initio data. II. Core-excited states.
    Costain TS; Rolston JB; Neville SP; Schuurman MS
    J Chem Phys; 2024 Sep; 161(11):. PubMed ID: 39301854
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function.
    Saitow M; Kurashige Y; Yanai T
    J Chem Phys; 2013 Jul; 139(4):044118. PubMed ID: 23901971
    [TBL] [Abstract][Full Text] [Related]  

  • 14. DFT/MRCI Hamiltonian for odd and even numbers of electrons.
    Heil A; Marian CM
    J Chem Phys; 2017 Nov; 147(19):194104. PubMed ID: 29166087
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Carotenoids and light-harvesting: from DFT/MRCI to the Tamm-Dancoff approximation.
    Andreussi O; Knecht S; Marian CM; Kongsted J; Mennucci B
    J Chem Theory Comput; 2015 Feb; 11(2):655-66. PubMed ID: 26579601
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Propagative block diagonalization diabatization of DFT/MRCI electronic states.
    Neville SP; Seidu I; Schuurman MS
    J Chem Phys; 2020 Mar; 152(11):114110. PubMed ID: 32199420
    [TBL] [Abstract][Full Text] [Related]  

  • 17. R2022: A DFT/MRCI Ansatz with Improved Performance for Double Excitations.
    Dombrowski DR; Schulz T; Kleinschmidt M; Marian CM
    J Phys Chem A; 2023 Mar; 127(8):2011-2025. PubMed ID: 36799533
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Excited states of Nb3N2 and Nb3C2: density functional theory, CASSCF, and MRCI studies.
    Addicoat MA; Metha GF
    J Chem Phys; 2009 Apr; 130(16):164308. PubMed ID: 19405580
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Small clusters of aluminum and tin: highly correlated calculations and validation of density functional procedures.
    Drebov N; Ahlrichs R
    J Chem Phys; 2011 Mar; 134(12):124308. PubMed ID: 21456663
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Coupled cluster and density functional studies on geometries and energies of excited C(2v) states of ozone.
    Grein F
    J Chem Phys; 2009 Mar; 130(12):124118. PubMed ID: 19334819
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.