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 *

117 related articles for article (PubMed ID: 28414227)

  • 21. Bonding analysis using localized relativistic orbitals: water, the ultrarelativistic case and the heavy homologues H2X (X = Te, Po, eka-Po).
    Dubillard S; Rota JB; Saue T; Faegri K
    J Chem Phys; 2006 Apr; 124(15):154307. PubMed ID: 16674226
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Transition-metal complexes of tetrylones [(CO)5W-E(PPh3)2] and tetrylenes [(CO)5W-NHE] (E=C-Pb): a theoretical study.
    Nguyen TA; Frenking G
    Chemistry; 2012 Oct; 18(40):12733-48. PubMed ID: 22945375
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Charge transfer and polarization for chloride ions bound in ClC transport proteins: natural bond orbital and energy decomposition analyses.
    Church J; Pezeshki S; Davis C; Lin H
    J Phys Chem B; 2013 Dec; 117(50):16029-43. PubMed ID: 24261529
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Role of s-p orbital mixing in the bonding and properties of second-period diatomic molecules.
    Bickelhaupt FM; Nagle JK; Klemm WL
    J Phys Chem A; 2008 Mar; 112(11):2437-46. PubMed ID: 18303869
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. The two faces of hydrogen-bond strength on triple AAA-DDD arrays.
    Lopez AH; Caramori GF; Coimbra DF; Parreira RL; da Silva ÉH
    Chemphyschem; 2013 Dec; 14(17):3994-4001. PubMed ID: 24288287
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Orbital contraction and covalent bonding.
    Bacskay GB
    J Chem Phys; 2022 May; 156(20):204122. PubMed ID: 35649848
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Valence Virtual Orbitals: An Unambiguous ab Initio Quantification of the LUMO Concept.
    Schmidt MW; Hull EA; Windus TL
    J Phys Chem A; 2015 Oct; 119(41):10408-27. PubMed ID: 26430954
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Complexes of 4-substituted phenolates with HF and HCN: energy decomposition and electronic structure analyses of hydrogen bonding.
    Szatyłowicz H; Krygowski TM; Guerra CF; Bickelhaupt FM
    J Comput Chem; 2013 Mar; 34(8):696-705. PubMed ID: 23175468
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Energy components in energy decomposition analysis (EDA) are path functions; why does it matter?
    Andrada DM; Foroutan-Nejad C
    Phys Chem Chem Phys; 2020 Oct; 22(39):22459-22464. PubMed ID: 32996940
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Localization of molecular orbitals on fragments.
    Sax AF
    J Comput Chem; 2012 Jun; 33(17):1495-510. PubMed ID: 22522607
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Free energy decomposition analysis of bonding and nonbonding interactions in solution.
    Su P; Liu H; Wu W
    J Chem Phys; 2012 Jul; 137(3):034111. PubMed ID: 22830687
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Estimating π binding energy of N-heterocyclic carbenes: the role of polarization.
    Rezabal E; Frison G
    J Comput Chem; 2015 Mar; 36(8):564-72. PubMed ID: 25708019
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Hydrogen bond-aromaticity cooperativity in self-assembling 4-pyridone chains.
    Anand M; Fernández I; Schaefer HF; Wu JI
    J Comput Chem; 2016 Jan; 37(1):59-63. PubMed ID: 26102304
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Determining the Impact of Ligand and Alkene Substituents on Bonding in Gold(I)-Alkene Complexes Supported by N-Heterocyclic Carbenes: A Computational Study.
    York JT
    J Phys Chem A; 2016 Aug; 120(30):6064-75. PubMed ID: 27455390
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Direct estimate of the strength of conjugation and hyperconjugation by the energy decomposition analysis method.
    Fernández I; Frenking G
    Chemistry; 2006 Apr; 12(13):3617-29. PubMed ID: 16502455
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Do single-electron lithium bonds exist? Prediction and characterization of the H3C...Li-Y (Y=H, F, OH, CN, NC, and CCH) complexes.
    Li Y; Wu D; Li ZR; Chen W; Sun CC
    J Chem Phys; 2006 Aug; 125(8):084317. PubMed ID: 16965022
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Clarifying the quantum mechanical origin of the covalent chemical bond.
    Levine DS; Head-Gordon M
    Nat Commun; 2020 Sep; 11(1):4893. PubMed ID: 32994392
    [TBL] [Abstract][Full Text] [Related]  

  • 39. MP2, density functional theory, and molecular mechanical calculations of C-H...pi and hydrogen bond interactions in a cellulose-binding module-cellulose model system.
    Mohamed MN; Watts HD; Guo J; Catchmark JM; Kubicki JD
    Carbohydr Res; 2010 Aug; 345(12):1741-51. PubMed ID: 20580346
    [TBL] [Abstract][Full Text] [Related]  

  • 40. SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory.
    Guo Y; Sivalingam K; Valeev EF; Neese F
    J Chem Phys; 2016 Mar; 144(9):094111. PubMed ID: 26957161
    [TBL] [Abstract][Full Text] [Related]  

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