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 *

133 related articles for article (PubMed ID: 26619975)

  • 1. Accurate Induction Energies for Small Organic Molecules:  1. Theory.
    Misquitta AJ; Stone AJ
    J Chem Theory Comput; 2008 Jan; 4(1):7-18. PubMed ID: 26619975
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Determination of structure and properties of molecular crystals from first principles.
    Szalewicz K
    Acc Chem Res; 2014 Nov; 47(11):3266-74. PubMed ID: 25354310
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations.
    Misquitta AJ; Podeszwa R; Jeziorski B; Szalewicz K
    J Chem Phys; 2005 Dec; 123(21):214103. PubMed ID: 16356035
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Accurate Induction Energies for Small Organic Molecules. 2. Development and Testing of Distributed Polarizability Models against SAPT(DFT) Energies.
    Misquitta AJ; Stone AJ; Price SL
    J Chem Theory Comput; 2008 Jan; 4(1):19-32. PubMed ID: 26619976
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit.
    Řezáč J; Hobza P
    J Chem Theory Comput; 2011 Mar; 7(3):685-9. PubMed ID: 26596299
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Interaction energies between glycopeptide antibiotics and substrates in complexes determined by X-ray crystallography: application of a theoretical databank of aspherical atoms and a symmetry-adapted perturbation theory-based set of interatomic potentials.
    Li X; Volkov AV; Szalewicz K; Coppens P
    Acta Crystallogr D Biol Crystallogr; 2006 Jun; 62(Pt 6):639-47. PubMed ID: 16699191
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies.
    Hesselmann A; Jansen G; Schütz M
    J Chem Phys; 2005 Jan; 122(1):14103. PubMed ID: 15638638
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers.
    Misquitta AJ; Szalewicz K
    J Chem Phys; 2005 Jun; 122(21):214109. PubMed ID: 15974730
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers.
    Bukowski R; Szalewicz K; Groenenboom G; van der Avoird A
    J Chem Phys; 2006 Jul; 125(4):44301. PubMed ID: 16942136
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory.
    Podeszwa R; Bukowski R; Rice BM; Szalewicz K
    Phys Chem Chem Phys; 2007 Nov; 9(41):5561-9. PubMed ID: 17957312
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Assessing the accuracy of SAPT(DFT) interaction energies by comparison with experimentally derived noble gas potentials and molecular crystal lattice energies.
    Bordner AJ
    Chemphyschem; 2012 Dec; 13(17):3981-8. PubMed ID: 23060262
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters.
    Wang FF; Jenness G; Al-Saidi WA; Jordan KD
    J Chem Phys; 2010 Apr; 132(13):134303. PubMed ID: 20387929
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Cation-π interactions: accurate intermolecular potential from symmetry-adapted perturbation theory.
    Ansorg K; Tafipolsky M; Engels B
    J Phys Chem B; 2013 Sep; 117(35):10093-102. PubMed ID: 23924321
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers.
    Podeszwa R; Szalewicz K
    J Chem Phys; 2007 May; 126(19):194101. PubMed ID: 17523792
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Intermolecular forces and molecular dynamics simulation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using symmetry adapted perturbation theory.
    Taylor DE
    J Phys Chem A; 2013 Apr; 117(16):3507-20. PubMed ID: 23565605
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Accurate Molecular Crystal Lattice Energies from a Fragment QM/MM Approach with On-the-Fly Ab Initio Force Field Parametrization.
    Wen S; Beran GJ
    J Chem Theory Comput; 2011 Nov; 7(11):3733-42. PubMed ID: 26598268
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Symmetry-Adapted Perturbation Theory Applied to Endohedral Fullerene Complexes: A Stability Study of H2@C60 and 2H2@C60.
    Korona T; Hesselmann A; Dodziuk H
    J Chem Theory Comput; 2009 Jun; 5(6):1585-96. PubMed ID: 26609851
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Does DFT-SAPT method provide spectroscopic accuracy?
    Shirkov L; Makarewicz J
    J Chem Phys; 2015 Feb; 142(6):064102. PubMed ID: 25681882
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Structure and Energetics of Complexes of B12N12 with Hydrogen Halides-SAPT(DFT) and MP2 Study.
    Yourdkhani S; Korona T; Hadipour NL
    J Phys Chem A; 2015 Jun; 119(24):6446-67. PubMed ID: 25973745
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.