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 *

147 related articles for article (PubMed ID: 32384839)

  • 1. 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]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. 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]  

  • 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. 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]  

  • 8. Convergence of Excitation Energies in Mixed Quantum and Classical Solvent: Comparison of Continuum and Point Charge Models.
    Provorse MR; Peev T; Xiong C; Isborn CM
    J Phys Chem B; 2016 Dec; 120(47):12148-12159. PubMed ID: 27797196
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: acrolein in water.
    Floris FM; Filippi C; Amovilli C
    J Chem Phys; 2014 Jan; 140(3):034109. PubMed ID: 25669365
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. 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]  

  • 13. Time-dependent non-equilibrium dielectric response in QM/continuum approaches.
    Ding F; Lingerfelt DB; Mennucci B; Li X
    J Chem Phys; 2015 Jan; 142(3):034120. PubMed ID: 25612702
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Exploring Potential Energy Surfaces of Electronic Excited States in Solution with the EOM-CCSD-PCM Method.
    Caricato M
    J Chem Theory Comput; 2012 Dec; 8(12):5081-91. PubMed ID: 26593199
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Solvation dynamics in acetonitrile: a study incorporating solute electronic response and nuclear relaxation.
    Ingrosso F; Ladanyi BM; Mennucci B; Elola MD; Tomasi J
    J Phys Chem B; 2005 Mar; 109(8):3553-64. PubMed ID: 16851393
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A comparison between state-specific and linear-response formalisms for the calculation of vertical electronic transition energy in solution with the CCSD-PCM method.
    Caricato M
    J Chem Phys; 2013 Jul; 139(4):044116. PubMed ID: 23901969
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: application to real-time TDDFT.
    Corni S; Pipolo S; Cammi R
    J Phys Chem A; 2015 May; 119(21):5405-16. PubMed ID: 25485456
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Quantum cluster theory for the polarizable continuum model. I. The CCSD level with analytical first and second derivatives.
    Cammi R
    J Chem Phys; 2009 Oct; 131(16):164104. PubMed ID: 19894924
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Mechanisms for Solvatochromic Shifts of Free-Base Porphine Studied with Polarizable Continuum Models and Explicit Solute-Solvent Interactions.
    Fukuda R; Ehara M
    J Chem Theory Comput; 2013 Jan; 9(1):470-80. PubMed ID: 26589048
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 8.