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 *

245 related articles for article (PubMed ID: 24339225)

  • 1. Halogen bonds with benzene: an assessment of DFT functionals.
    Forni A; Pieraccini S; Rendine S; Sironi M
    J Comput Chem; 2014 Feb; 35(5):386-94. PubMed ID: 24339225
    [TBL] [Abstract][Full Text] [Related]  

  • 2. On the nature of the stabilization of benzene···dihalogen and benzene···dinitrogen complexes: CCSD(T)/CBS and DFT-SAPT calculations.
    Munusamy E; Sedlak R; Hobza P
    Chemphyschem; 2011 Dec; 12(17):3253-61. PubMed ID: 21997842
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Halogen-π Interactions between Benzene and X
    Youn IS; Kim DY; Cho WJ; Madridejos JM; Lee HM; Kołaski M; Lee J; Baig C; Shin SK; Filatov M; Kim KS
    J Phys Chem A; 2016 Nov; 120(46):9305-9314. PubMed ID: 27802060
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Comparison of aromatic NH···π, OH···π, and CH···π interactions of alanine using MP2, CCSD, and DFT methods.
    Mohan N; Vijayalakshmi KP; Koga N; Suresh CH
    J Comput Chem; 2010 Dec; 31(16):2874-82. PubMed ID: 20928850
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Halogen-bonding interactions with π systems: CCSD(T), MP2, and DFT calculations.
    Forni A; Pieraccini S; Rendine S; Gabas F; Sironi M
    Chemphyschem; 2012 Dec; 13(18):4224-34. PubMed ID: 23169496
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Calculations on noncovalent interactions and databases of benchmark interaction energies.
    Hobza P
    Acc Chem Res; 2012 Apr; 45(4):663-72. PubMed ID: 22225511
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Stabilisation energy of C(6)H(6)...C(6)X(6) (X = F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levels.
    Pluhácková K; Jurecka P; Hobza P
    Phys Chem Chem Phys; 2007 Feb; 9(6):755-60. PubMed ID: 17268688
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Quantum chemical modeling of benzene ethylation over H-ZSM-5 approaching chemical accuracy: a hybrid MP2:DFT study.
    Hansen N; Kerber T; Sauer J; Bell AT; Keil FJ
    J Am Chem Soc; 2010 Aug; 132(33):11525-38. PubMed ID: 20677757
    [TBL] [Abstract][Full Text] [Related]  

  • 9. On the nature of stabilization in weak, medium, and strong charge-transfer complexes: CCSD(T)/CBS and SAPT calculations.
    Karthikeyan S; Sedlak R; Hobza P
    J Phys Chem A; 2011 Sep; 115(34):9422-8. PubMed ID: 21375294
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
    Lu YX; Zou JW; Fan JC; Zhao WN; Jiang YJ; Yu QS
    J Comput Chem; 2009 Apr; 30(5):725-32. PubMed ID: 18727160
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using Gaussian09.
    Remya K; Suresh CH
    J Comput Chem; 2013 Jun; 34(15):1341-53. PubMed ID: 23456921
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods.
    Liu Y; Zhao J; Li F; Chen Z
    J Comput Chem; 2013 Jan; 34(2):121-31. PubMed ID: 22949382
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory.
    Kołaski M; Kumar A; Singh NJ; Kim KS
    Phys Chem Chem Phys; 2011 Jan; 13(3):991-1001. PubMed ID: 21063580
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Assessment of DFT Functionals for QTAIM Topological Analysis of Halogen Bonds with Benzene.
    Forni A; Pieraccini S; Franchini D; Sironi M
    J Phys Chem A; 2016 Nov; 120(45):9071-9080. PubMed ID: 27718571
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes.
    Maranzana A; Giordana A; Indarto A; Tonachini G; Barone V; Causà M; Pavone M
    J Chem Phys; 2013 Dec; 139(24):244306. PubMed ID: 24387369
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An assessment of theoretical methods for nonbonded interactions: comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the methane dimer, benzene-methane, and benzene-H2S.
    Sherrill CD; Takatani T; Hohenstein EG
    J Phys Chem A; 2009 Sep; 113(38):10146-59. PubMed ID: 19689152
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
    Pitonák M; Riley KE; Neogrády P; Hobza P
    Chemphyschem; 2008 Aug; 9(11):1636-44. PubMed ID: 18574830
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Carbohydrate-aromatic pi interactions: a test of density functionals and the DFT-D method.
    Raju RK; Ramraj A; Hillier IH; Vincent MA; Burton NA
    Phys Chem Chem Phys; 2009 May; 11(18):3411-6. PubMed ID: 19421542
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: the dimer of H2S and benzene.
    Leverentz HR; Truhlar DG
    J Phys Chem A; 2008 Jul; 112(26):6009-16. PubMed ID: 18540587
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
    Marchetti O; Werner HJ
    Phys Chem Chem Phys; 2008 Jun; 10(23):3400-9. PubMed ID: 18535723
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.