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 *

168 related articles for article (PubMed ID: 27905594)

  • 1. Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation.
    Di Remigio R; Beerepoot MT; Cornaton Y; Ringholm M; Steindal AH; Ruud K; Frediani L
    Phys Chem Chem Phys; 2016 Dec; 19(1):366-379. PubMed ID: 27905594
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Four-component relativistic calculations in solution with the polarizable continuum model of solvation: theory, implementation, and application to the group 16 dihydrides H2X (X = O, S, Se, Te, Po).
    Remigio RD; Bast R; Frediani L; Saue T
    J Phys Chem A; 2015 May; 119(21):5061-77. PubMed ID: 25412410
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
    Marenich AV; Cramer CJ; Truhlar DG
    J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI.
    Pipolo S; Corni S; Cammi R
    J Chem Phys; 2017 Feb; 146(6):064116. PubMed ID: 28201884
    [TBL] [Abstract][Full Text] [Related]  

  • 5. SM6:  A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water Clusters.
    Kelly CP; Cramer CJ; Truhlar DG
    J Chem Theory Comput; 2005 Nov; 1(6):1133-52. PubMed ID: 26631657
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A variational formulation of the polarizable continuum model.
    Lipparini F; Scalmani G; Mennucci B; Cancès E; Caricato M; Frisch MJ
    J Chem Phys; 2010 Jul; 133(1):014106. PubMed ID: 20614958
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Combining Explicit Quantum Solvent with a Polarizable Continuum Model.
    Provorse Long MR; Isborn CM
    J Phys Chem B; 2017 Nov; 121(43):10105-10117. PubMed ID: 28992689
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Solvent effects for vertical absorption and emission processes in solution using a self-consistent state specific method based on constrained equilibrium thermodynamics.
    Bi TJ; Xu LK; Wang F; Li XY
    Phys Chem Chem Phys; 2018 May; 20(19):13178-13190. PubMed ID: 29717314
    [TBL] [Abstract][Full Text] [Related]  

  • 9. An open quantum system theory for polarizable continuum models.
    Guido CA; Rosa M; Cammi R; Corni S
    J Chem Phys; 2020 May; 152(17):174114. PubMed ID: 32384839
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Excitation energy transfer (EET) between molecules in condensed matter: a novel application of the polarizable continuum model (PCM).
    Iozzi MF; Mennucci B; Tomasi J; Cammi R
    J Chem Phys; 2004 Apr; 120(15):7029-40. PubMed ID: 15267604
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Self-Consistent Field and Polarizable Continuum Model: A New Strategy of Solution for the Coupled Equations.
    Lipparini F; Scalmani G; Mennucci B; Frisch MJ
    J Chem Theory Comput; 2011 Mar; 7(3):610-7. PubMed ID: 26596295
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Absorption and Emission Spectra of Solvated Molecules with the EOM-CCSD-PCM Method.
    Caricato M
    J Chem Theory Comput; 2012 Nov; 8(11):4494-502. PubMed ID: 26605609
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Self-Consistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges.
    Marenich AV; Olson RM; Kelly CP; Cramer CJ; Truhlar DG
    J Chem Theory Comput; 2007 Nov; 3(6):2011-33. PubMed ID: 26636198
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Solvent effects on excitation energies obtained using the state-specific TD-DFT method with a polarizable continuum model based on constrained equilibrium thermodynamics.
    Bi TJ; Xu LK; Wang F; Ming MJ; Li XY
    Phys Chem Chem Phys; 2017 Dec; 19(48):32242-32252. PubMed ID: 29188829
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A noniterative mean-field QM/MM-type approach with a linear response approximation toward an efficient free-energy evaluation.
    Kido K
    J Comput Chem; 2019 Sep; 40(24):2072-2085. PubMed ID: 31026101
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions.
    Di Remigio R; Giovannini T; Ambrosetti M; Cappelli C; Frediani L
    J Chem Theory Comput; 2019 Jul; 15(7):4056-4068. PubMed ID: 31244130
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization: study of the optical and magnetic properties of diazines in water.
    Manzoni V; Lyra ML; Coutinho K; Canuto S
    J Chem Phys; 2011 Oct; 135(14):144103. PubMed ID: 22010694
    [TBL] [Abstract][Full Text] [Related]  

  • 18. How to model solvent effects on molecular properties using quantum chemistry? Insights from polarizable discrete or continuum solvation models.
    Kongsted J; Mennucci B
    J Phys Chem A; 2007 Oct; 111(39):9890-900. PubMed ID: 17845016
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A general, recursive, and open-ended response code.
    Ringholm M; Jonsson D; Ruud K
    J Comput Chem; 2014 Mar; 35(8):622-33. PubMed ID: 24500816
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Effect of the Solute Cavity on the Solvation Energy and its Derivatives within the Framework of the Gaussian Charge Scheme.
    Garcia-Ratés M; Neese F
    J Comput Chem; 2020 Apr; 41(9):922-939. PubMed ID: 31889331
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.