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 *

107 related articles for article (PubMed ID: 36399401)

  • 21. Electronic structure and bonding of the dinuclear metal M
    Menacer R; May A; Belkhiri L; Mousser A
    J Mol Model; 2017 Nov; 23(12):358. PubMed ID: 29185066
    [TBL] [Abstract][Full Text] [Related]  

  • 22. ETS-NOCV decomposition of the reaction force for double-proton transfer in formamide-derived systems.
    Talaga P; Brela MZ; Michalak A
    J Mol Model; 2017 Dec; 24(1):27. PubMed ID: 29273840
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Efficient Implementation of Energy Decomposition Analysis for Second-Order Møller-Plesset Perturbation Theory and Application to Anion-π Interactions.
    Thirman J; Head-Gordon M
    J Phys Chem A; 2017 Jan; 121(3):717-728. PubMed ID: 28004932
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Theoretical description of halogen bonding - an insight based on the natural orbitals for chemical valence combined with the extended-transition-state method (ETS-NOCV).
    Mitoraj MP; Michalak A
    J Mol Model; 2013 Nov; 19(11):4681-8. PubMed ID: 22669533
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Charge-transfer and the hydrogen bond: spectroscopic and structural implications from electronic structure calculations.
    Ramos-Cordoba E; Lambrecht DS; Head-Gordon M
    Faraday Discuss; 2011; 150():345-62; discussion 391-418. PubMed ID: 22457956
    [TBL] [Abstract][Full Text] [Related]  

  • 26. EDA-NOCV analysis of carbene-borylene bonded dinitrogen complexes for deeper bonding insight: A fair comparison with a metal-dinitrogen system.
    Devi K; Gorantla SMNVT; Mondal KC
    J Comput Chem; 2022 Apr; 43(11):757-777. PubMed ID: 35289411
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Bonding in ammonia borane: an analysis based on the natural orbitals for chemical valence and the extended transition state method (ETS-NOCV).
    Mitoraj MP
    J Phys Chem A; 2011 Dec; 115(51):14708-16. PubMed ID: 22085293
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Dative and electron-sharing bonding in transition metal compounds.
    Jerabek P; Schwerdtfeger P; Frenking G
    J Comput Chem; 2019 Jan; 40(1):247-264. PubMed ID: 30365176
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Stabilities, Electronic Structures, and Bonding Properties of 20-Electron Transition Metal Complexes (Cp)
    Xu S; Li M; Pei G; Zhao P; Zhao X; Wu G; Kong C; Yang Z; Ehara M; Yang T
    J Phys Chem A; 2021 Jan; 125(3):721-730. PubMed ID: 33464900
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculations.
    Demerdash O; Mao Y; Liu T; Head-Gordon M; Head-Gordon T
    J Chem Phys; 2017 Oct; 147(16):161721. PubMed ID: 29096520
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Nature of Beryllium, Magnesium, and Zinc Bonds in Carbene⋯MX
    Sagan F; Mitoraj M; Jabłoński M
    Int J Mol Sci; 2022 Nov; 23(23):. PubMed ID: 36498996
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Advances in Charge Displacement Analysis.
    Bistoni G; Belpassi L; Tarantelli F
    J Chem Theory Comput; 2016 Mar; 12(3):1236-44. PubMed ID: 26824715
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Nature of Halide-Water Interactions: Insights from Many-Body Representations and Density Functional Theory.
    Bizzarro BB; Egan CK; Paesani F
    J Chem Theory Comput; 2019 May; 15(5):2983-2995. PubMed ID: 30913392
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Energy decomposition scheme based on the generalized Kohn-Sham scheme.
    Su P; Jiang Z; Chen Z; Wu W
    J Phys Chem A; 2014 Apr; 118(13):2531-42. PubMed ID: 24611964
    [TBL] [Abstract][Full Text] [Related]  

  • 35. From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis.
    Mao Y; Loipersberger M; Horn PR; Das A; Demerdash O; Levine DS; Prasad Veccham S; Head-Gordon T; Head-Gordon M
    Annu Rev Phys Chem; 2021 Apr; 72():641-666. PubMed ID: 33636998
    [TBL] [Abstract][Full Text] [Related]  

  • 36. On the Computational Characterization of Charge-Transfer Effects in Noncovalently Bound Molecular Complexes.
    Mao Y; Ge Q; Horn PR; Head-Gordon M
    J Chem Theory Comput; 2018 May; 14(5):2401-2417. PubMed ID: 29614855
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Quantitative and Chemically Intuitive Evaluation of the Nature of M-L Bonds in Paramagnetic Compounds: Application of EDA-NOCV Theory to Spin Crossover Complexes.
    Bondì L; Garden AL; Jerabek P; Totti F; Brooker S
    Chemistry; 2020 Oct; 26(60):13677-13685. PubMed ID: 32671882
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Kinetic and Potential Energy Contributions to a Chemical Bond from the Charge and Energy Decomposition Scheme of Extended Transition State Natural Orbitals for Chemical Valence.
    Sagan F; Mitoraj MP
    J Phys Chem A; 2019 May; 123(21):4616-4622. PubMed ID: 31058501
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Dissociation of HCl in water nanoclusters: an energy decomposition analysis perspective.
    Zech A; Head-Gordon M
    Phys Chem Chem Phys; 2021 Dec; 23(47):26737-26749. PubMed ID: 34846396
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Theoretical study on the excited state decay properties of iron(ii) polypyridine complexes substituted by bromine and chlorine.
    Li Y; Fan XW; Chen J; Bai FQ; Zhang HX
    RSC Adv; 2019 Oct; 9(54):31621-31627. PubMed ID: 35527963
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.