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 *

119 related articles for article (PubMed ID: 36166346)

  • 21. Environment Effects on X-Ray Absorption Spectra With Quantum Embedded Real-Time Time-Dependent Density Functional Theory Approaches.
    De Santis M; Vallet V; Gomes ASP
    Front Chem; 2022; 10():823246. PubMed ID: 35295974
    [TBL] [Abstract][Full Text] [Related]  

  • 22. High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory.
    Lima FA; Bjornsson R; Weyhermüller T; Chandrasekaran P; Glatzel P; Neese F; DeBeer S
    Phys Chem Chem Phys; 2013 Dec; 15(48):20911-20. PubMed ID: 24197060
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Bridging-hydride influence on the electronic structure of an [FeFe] hydrogenase active-site model complex revealed by XAES-DFT.
    Leidel N; Hsieh CH; Chernev P; Sigfridsson KG; Darensbourg MY; Haumann M
    Dalton Trans; 2013 Jun; 42(21):7539-54. PubMed ID: 23446996
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes – Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR2, and (BDI)AlX2 Complexes.
    Altman AB; Pemmaraju CD; Camp C; Arnold J; Minasian SG; Prendergast D; Shuh DK; Tyliszczak T
    J Am Chem Soc; 2015 Aug; 137(32):10304-16. PubMed ID: 26258886
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Core-to-Rydberg band shift and broadening of hydrogen bonded ammonia clusters studied with nitrogen K-edge excitation spectroscopy.
    Yamanaka T; Tabayashi K; Takahashi O; Tanaka K; Namatame H; Taniguchi M
    J Chem Phys; 2012 Jan; 136(1):014308. PubMed ID: 22239782
    [TBL] [Abstract][Full Text] [Related]  

  • 26. S2p core level spectroscopy of short chain oligothiophenes.
    Baseggio O; Toffoli D; Stener M; Fronzoni G; de Simone M; Grazioli C; Coreno M; Guarnaccio A; Santagata A; D'Auria M
    J Chem Phys; 2017 Dec; 147(24):244301. PubMed ID: 29289119
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians to study the core ionization potential of molecules containing light to medium-heavy elements.
    Sen S; Shee A; Mukherjee D
    J Chem Phys; 2018 Feb; 148(5):054107. PubMed ID: 29421893
    [TBL] [Abstract][Full Text] [Related]  

  • 28. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: application to transition metal L-edge X-ray absorption spectroscopy.
    Roemelt M; Maganas D; DeBeer S; Neese F
    J Chem Phys; 2013 May; 138(20):204101. PubMed ID: 23742448
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory of arsenic dithiocarbamates.
    Donahue CM; Pacheco JS; Keith JM; Daly SR
    Dalton Trans; 2014 Jun; 43(24):9189-201. PubMed ID: 24811926
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Trends in covalency for d- and f-element metallocene dichlorides identified using chlorine K-edge X-ray absorption spectroscopy and time-dependent density functional theory.
    Kozimor SA; Yang P; Batista ER; Boland KS; Burns CJ; Clark DL; Conradson SD; Martin RL; Wilkerson MP; Wolfsberg LE
    J Am Chem Soc; 2009 Sep; 131(34):12125-36. PubMed ID: 19705913
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Valence excitation energies of alkenes, carbonyl compounds, and azabenzenes by time-dependent density functional theory: linear response of the ground state compared to collinear and noncollinear spin-flip TDDFT with the Tamm-Dancoff approximation.
    Isegawa M; Truhlar DG
    J Chem Phys; 2013 Apr; 138(13):134111. PubMed ID: 23574212
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Predicting Near Edge X-ray Absorption Spectra with the Spin-Free Exact-Two-Component Hamiltonian and Orthogonality Constrained Density Functional Theory.
    Verma P; Derricotte WD; Evangelista FA
    J Chem Theory Comput; 2016 Jan; 12(1):144-56. PubMed ID: 26584082
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Testing Noncollinear Spin-Flip, Collinear Spin-Flip, and Conventional Time-Dependent Density Functional Theory for Predicting Electronic Excitation Energies of Closed-Shell Atoms.
    Xu X; Yang KR; Truhlar DG
    J Chem Theory Comput; 2014 May; 10(5):2070-84. PubMed ID: 26580534
    [TBL] [Abstract][Full Text] [Related]  

  • 34. The protonation states of oxo-bridged Mn(IV) dimers resolved by experimental and computational Mn K pre-edge X-ray absorption spectroscopy.
    Krewald V; Lassalle-Kaiser B; Boron TT; Pollock CJ; Kern J; Beckwith MA; Yachandra VK; Pecoraro VL; Yano J; Neese F; DeBeer S
    Inorg Chem; 2013 Nov; 52(22):12904-14. PubMed ID: 24161030
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Near-Quantitative Predictions of the First-Shell Coordination Structure of Hydrated First-Row Transition Metal Ions Using K-Edge X-ray Absorption Near-Edge Spectroscopy.
    Ghosh S; Agarwal H; Galib M; Tran B; Balasubramanian M; Singh N; Fulton JL; Govind N
    J Phys Chem Lett; 2022 Jul; 13(27):6323-6330. PubMed ID: 35793526
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Coupled-cluster and density functional theory studies of the electronic 0-0 transitions of the DNA bases.
    Ovchinnikov VA; Sundholm D
    Phys Chem Chem Phys; 2014 Apr; 16(15):6931-41. PubMed ID: 24595333
    [TBL] [Abstract][Full Text] [Related]  

  • 37. New relativistic ANO basis sets for transition metal atoms.
    Roos BO; Lindh R; Malmqvist PA; Veryazov V; Widmark PO
    J Phys Chem A; 2005 Jul; 109(29):6575-9. PubMed ID: 16834004
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Carbon and Nitrogen K-Edge NEXAFS Spectra of Indole, 2,3-Dihydro-7-azaindole, and 3-Formylindole.
    Ponzi A; Bernes E; Toffoli D; Fronzoni G; Callegari C; Ciavardini A; Di Fraia M; Richter R; Prince KC; Sa'adeh H; Devetta M; Faccialà D; Vozzi C; Avaldi L; Bolognesi P; Castrovilli MC; Catone D; Coreno M; Plekan O
    J Phys Chem A; 2021 May; 125(19):4160-4172. PubMed ID: 33961434
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.
    Herbert JM; Zhang X; Morrison AF; Liu J
    Acc Chem Res; 2016 May; 49(5):931-41. PubMed ID: 27100899
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M-S bonding for MS4(2-) (M = Cr, Mo, W) dianions.
    Olson AC; Keith JM; Batista ER; Boland KS; Daly SR; Kozimor SA; MacInnes MM; Martin RL; Scott BL
    Dalton Trans; 2014 Dec; 43(46):17283-95. PubMed ID: 25311904
    [TBL] [Abstract][Full Text] [Related]  

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