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 *

136 related articles for article (PubMed ID: 31176326)

  • 1. Explicitly correlated renormalized second-order Green's function for accurate ionization potentials of closed-shell molecules.
    Teke NK; Pavošević F; Peng C; Valeev EF
    J Chem Phys; 2019 Jun; 150(21):214103. PubMed ID: 31176326
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Communication: Explicitly correlated formalism for second-order single-particle Green's function.
    Pavošević F; Peng C; Ortiz JV; Valeev EF
    J Chem Phys; 2017 Sep; 147(12):121101. PubMed ID: 28964023
    [TBL] [Abstract][Full Text] [Related]  

  • 3. NR2 and P3+: Accurate, Efficient Electron-Propagator Methods for Calculating Valence, Vertical Ionization Energies of Closed-Shell Molecules.
    Corzo HH; Galano A; Dolgounitcheva O; Zakrzewski VG; Ortiz JV
    J Phys Chem A; 2015 Aug; 119(33):8813-21. PubMed ID: 26226061
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Monte Carlo explicitly correlated many-body Green's function theory.
    Johnson CM; Doran AE; Ten-No SL; Hirata S
    J Chem Phys; 2018 Nov; 149(17):174112. PubMed ID: 30409017
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment.
    Zhang J; Valeev EF
    J Chem Theory Comput; 2012 Sep; 8(9):3175-86. PubMed ID: 26605729
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atoms.
    Kumar A; Neese F; Valeev EF
    J Chem Phys; 2020 Sep; 153(9):094105. PubMed ID: 32891102
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Communications: Explicitly correlated equation-of-motion coupled cluster method for ionized states.
    Bokhan D; Ten-No S
    J Chem Phys; 2010 Jan; 132(2):021101. PubMed ID: 20095655
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Explicitly correlated frequency-independent second-order green's function for accurate ionization energies.
    Ohnishi YY; Ten-No S
    J Comput Chem; 2016 Oct; 37(27):2447-53. PubMed ID: 27539206
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Accurate Intermolecular Interaction Energies Using Explicitly Correlated Local Coupled Cluster Methods [PNO-LCCSD(T)-F12].
    Ma Q; Werner HJ
    J Chem Theory Comput; 2019 Feb; 15(2):1044-1052. PubMed ID: 30624917
    [TBL] [Abstract][Full Text] [Related]  

  • 10. An expanded calibration study of the explicitly correlated CCSD(T)-F12b method using large basis set standard CCSD(T) atomization energies.
    Feller D; Peterson KA
    J Chem Phys; 2013 Aug; 139(8):084110. PubMed ID: 24006977
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?
    Neese F; Valeev EF
    J Chem Theory Comput; 2011 Jan; 7(1):33-43. PubMed ID: 26606216
    [TBL] [Abstract][Full Text] [Related]  

  • 12. XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods.
    Lane JR; Kjaergaard HG
    J Chem Phys; 2010 May; 132(17):174304. PubMed ID: 20459166
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
    Hill JG; Peterson KA; Knizia G; Werner HJ
    J Chem Phys; 2009 Nov; 131(19):194105. PubMed ID: 19929044
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?
    Sylvetsky N; Peterson KA; Karton A; Martin JM
    J Chem Phys; 2016 Jun; 144(21):214101. PubMed ID: 27276939
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The extended explicitly-correlated second-order approximate coupled-cluster singles and doubles ansatz suitable for response theory.
    Höfener S; Schieschke N; Klopper W; Köhn A
    J Chem Phys; 2019 May; 150(18):184110. PubMed ID: 31091924
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Accurate intermolecular ground state potential of the Ar-N2 van der Waals complex.
    Munteanu CR; Cacheiro JL; Fernández B
    J Chem Phys; 2004 Dec; 121(21):10419-25. PubMed ID: 15549922
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA(CCSD) Methods.
    Jørgensen MW; Faber R; Ligabue A; Sauer SPA
    J Chem Theory Comput; 2020 May; 16(5):3006-3018. PubMed ID: 32302474
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Analytical energy gradients for explicitly correlated wave functions. II. Explicitly correlated coupled cluster singles and doubles with perturbative triples corrections: CCSD(T)-F12.
    Győrffy W; Werner HJ
    J Chem Phys; 2018 Mar; 148(11):114104. PubMed ID: 29566500
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Accurate intermolecular ground state potential of the Ne-N2 van der Waals complex.
    Munteanu CR; López Cacheiro J; Fernández B
    J Chem Phys; 2004 May; 120(19):9104-12. PubMed ID: 15267846
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Explicitly correlated coupled-cluster theory with Brueckner orbitals.
    Tew DP
    J Chem Phys; 2016 Aug; 145(7):074103. PubMed ID: 27544083
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.