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 *

148 related articles for article (PubMed ID: 37779962)

  • 1. Interacting Quantum Atoms and Multipolar Electrostatic Study of XH···π Interactions.
    Triestram L; Falcioni F; Popelier PLA
    ACS Omega; 2023 Sep; 8(38):34844-34851. PubMed ID: 37779962
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach.
    Guevara-Vela JM; Chávez-Calvillo R; García-Revilla M; Hernández-Trujillo J; Christiansen O; Francisco E; Martín Pendás A; Rocha-Rinza T
    Chemistry; 2013 Oct; 19(42):14304-15. PubMed ID: 24038387
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study.
    Orangi N; Eskandari K; Thacker JCR; Popelier PLA
    Chemphyschem; 2019 Aug; 20(15):1922-1930. PubMed ID: 31136067
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Physical nature of interactions in Zn(II) complexes with 2,2'-bipyridyl: quantum theory of atoms in molecules (QTAIM), interacting quantum atoms (IQA), noncovalent interactions (NCI), and extended transition state coupled with natural orbitals for chemical valence (ETS-NOCV) comparative studies.
    Cukrowski I; de Lange JH; Mitoraj M
    J Phys Chem A; 2014 Jan; 118(3):623-37. PubMed ID: 24377828
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Electronic properties of hydrogen-bonded complexes of benzene(HCN)(1-4): comparison with benzene(H2O)(1-4).
    Mateus MP; Galamba N; Cabral BJ
    J Phys Chem A; 2011 Nov; 115(46):13714-23. PubMed ID: 21978376
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Multi-center covalency: revisiting the nature of anion-π interactions.
    Foroutan-Nejad C; Badri Z; Marek R
    Phys Chem Chem Phys; 2015 Nov; 17(45):30670-9. PubMed ID: 26524076
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Physical Nature of Substituent Effects in XH/π Interactions.
    Bloom JW; Raju RK; Wheeler SE
    J Chem Theory Comput; 2012 Sep; 8(9):3167-74. PubMed ID: 26605728
    [TBL] [Abstract][Full Text] [Related]  

  • 8. On the non-classical contribution in lone-pair-π interaction: IQA perspective.
    Badri Z; Foroutan-Nejad C; Kozelka J; Marek R
    Phys Chem Chem Phys; 2015 Oct; 17(39):26183-90. PubMed ID: 26381704
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Application of the Interacting Quantum Atoms Approach to the S66 and Ionic-Hydrogen-Bond Datasets for Noncovalent Interactions.
    Suárez D; Díaz N; Francisco E; Martín Pendás A
    Chemphyschem; 2018 Apr; 19(8):973-987. PubMed ID: 29356250
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Comparative investigation of interactions of hydrogen, halogen and tetrel bond donors with electron-rich and electron-deficient π-systems.
    Ibrahim MAA; Ahmed OAM; Moussa NAM; El-Taher S; Moustafa H
    RSC Adv; 2019 Oct; 9(56):32811-32820. PubMed ID: 35529736
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Energy component analysis of π interactions.
    Sherrill CD
    Acc Chem Res; 2013 Apr; 46(4):1020-8. PubMed ID: 23020662
    [TBL] [Abstract][Full Text] [Related]  

  • 12. An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Analysis of the Anomeric Effect.
    Khan D; Duarte LJ; Popelier PLA
    Molecules; 2022 Aug; 27(15):. PubMed ID: 35956954
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The IQA Energy Partition in a Drug Design Setting: A Hepatitis C Virus RNA-Dependent RNA Polymerase (NS5B) Case Study.
    Zapata-Acevedo CA; Popelier PLA
    Pharmaceuticals (Basel); 2022 Oct; 15(10):. PubMed ID: 36297349
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Role of the multipolar electrostatic interaction energy components in strong and weak cation-π interactions.
    Kadlubanski P; Calderón-Mojica K; Rodriguez WA; Majumdar D; Roszak S; Leszczynski J
    J Phys Chem A; 2013 Aug; 117(33):7989-8000. PubMed ID: 23895641
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The nature of the chemical bond revisited: an energy-partitioning analysis of nonpolar bonds.
    Kovács A; Esterhuysen C; Frenking G
    Chemistry; 2005 Mar; 11(6):1813-25. PubMed ID: 15672434
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Merging the Energy Decomposition Analysis with the Interacting Quantum Atoms Approach.
    Gimferrer M; Danés S; Andrada DM; Salvador P
    J Chem Theory Comput; 2023 Jun; 19(12):3469-3485. PubMed ID: 37246911
    [TBL] [Abstract][Full Text] [Related]  

  • 17. An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation.
    Alkorta I; Silva AF; Popelier PLA
    Molecules; 2020 Jun; 25(11):. PubMed ID: 32526931
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multicenter (FX)
    Buralli GJ; Petelski AN; Peruchena NM; Sosa GL; Duarte DJR
    Molecules; 2017 Nov; 22(11):. PubMed ID: 29165403
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The role of π electrons in the formation of benzene-containing lithium-bonded complexes.
    Zeng Y; Zhu M; Meng L; Zheng S
    Chemphyschem; 2011 Dec; 12(18):3584-90. PubMed ID: 22002913
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Estimating the binding ability of onium ions with CO₂ and π systems: a computational investigation.
    Hussain MA; Mahadevi AS; Sastry GN
    Phys Chem Chem Phys; 2015 Jan; 17(3):1763-75. PubMed ID: 25461981
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.