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 *

120 related articles for article (PubMed ID: 38666396)

  • 21. Transition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH
    Almeida NMS; Pawłowski F; Ortiz JV; Miliordos E
    Phys Chem Chem Phys; 2019 Mar; 21(13):7090-7097. PubMed ID: 30882119
    [TBL] [Abstract][Full Text] [Related]  

  • 22. On the performance of local, semilocal, and nonlocal exchange-correlation functionals on transition metal molecules.
    Ramírez-Solís A
    J Chem Phys; 2007 Jun; 126(22):224105. PubMed ID: 17581042
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal Compounds.
    Zhang W; Truhlar DG; Tang M
    J Chem Theory Comput; 2013 Sep; 9(9):3965-77. PubMed ID: 26592392
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Computational tests of quantum chemical models for excited and ionized states of molecules with phosphorus and sulfur atoms.
    Hahn DK; RaghuVeer K; Ortiz JV
    J Phys Chem A; 2014 May; 118(19):3514-24. PubMed ID: 24779512
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Systematic Evaluation of Modern Density Functional Methods for the Computation of NMR Shifts of 3d Transition-Metal Nuclei.
    Schattenberg CJ; Lehmann M; Bühl M; Kaupp M
    J Chem Theory Comput; 2022 Jan; 18(1):273-292. PubMed ID: 34968062
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Rungs 1 to 4 of DFT Jacob's ladder: Extensive test on the lattice constant, bulk modulus, and cohesive energy of solids.
    Tran F; Stelzl J; Blaha P
    J Chem Phys; 2016 May; 144(20):204120. PubMed ID: 27250292
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Electronic and structural features of octa-coordinated yttrium-ammonia complexes: the first neutral solvated electron precursor with eight ligands and three outer electrons.
    Almeida NMS; Miliordos E
    Phys Chem Chem Phys; 2019 Mar; 21(13):7098-7104. PubMed ID: 30859175
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Density functional theory assessment of molecular structures and energies of neutral and anionic Al(n) (n = 2-10) clusters.
    Paranthaman S; Hong K; Kim J; Kim DE; Kim TK
    J Phys Chem A; 2013 Sep; 117(38):9293-303. PubMed ID: 24028335
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A; Poteau R; Vela A; Daudey JP
    J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores.
    Shao Y; Mei Y; Sundholm D; Kaila VRI
    J Chem Theory Comput; 2020 Jan; 16(1):587-600. PubMed ID: 31815476
    [TBL] [Abstract][Full Text] [Related]  

  • 31. HAB79: A new molecular dataset for benchmarking DFT and DFTB electronic couplings against high-level ab initio calculations.
    Ziogos OG; Kubas A; Futera Z; Xie W; Elstner M; Blumberger J
    J Chem Phys; 2021 Dec; 155(23):234115. PubMed ID: 34937363
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Synthesis and Characterization of Metal-Encapsulating Si
    Tsunoyama H; Shibuta M; Nakaya M; Eguchi T; Nakajima A
    Acc Chem Res; 2018 Aug; 51(8):1735-1745. PubMed ID: 29715011
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Photoredox matching of earth-abundant photosensitizers with hydrogen evolving catalysts by first-principles predictions.
    Losada IB; Persson P
    J Chem Phys; 2024 Feb; 160(7):. PubMed ID: 38375904
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Components of the Bond Energy in Polar Diatomic Molecules, Radicals, and Ions Formed by Group-1 and Group-2 Metal Atoms.
    Yu H; Truhlar DG
    J Chem Theory Comput; 2015 Jul; 11(7):2968-83. PubMed ID: 26575734
    [TBL] [Abstract][Full Text] [Related]  

  • 35. How Evenly Can Approximate Density Functionals Treat the Different Multiplicities and Ionization States of 4d Transition Metal Atoms?
    Luo S; Truhlar DG
    J Chem Theory Comput; 2012 Nov; 8(11):4112-26. PubMed ID: 26605578
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Computational strategies for reactions of aggregated and solvated organolithium carbenoids.
    Ramachandran B; Kharidehal P; Pratt LM; Voit S; Okeke FN; Ewan M
    J Phys Chem A; 2010 Aug; 114(32):8423-33. PubMed ID: 20666488
    [TBL] [Abstract][Full Text] [Related]  

  • 37. The Metal Hydride Problem of Computational Chemistry: Origins and Consequences.
    Moltved KA; Kepp KP
    J Phys Chem A; 2019 Apr; 123(13):2888-2900. PubMed ID: 30884233
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Structures and electronic properties of B
    Wu X; Lu SJ; Liang X; Huang X; Qin Y; Chen M; Zhao J; Xu HG; King RB; Zheng W
    J Chem Phys; 2017 Jan; 146(4):044306. PubMed ID: 28147525
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Orbital-Optimized Versus Time-Dependent Density Functional Calculations of Intramolecular Charge Transfer Excited States.
    Selenius E; Sigurdarson AE; Schmerwitz YLA; Levi G
    J Chem Theory Comput; 2024 May; 20(9):3809-3822. PubMed ID: 38695313
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Trajectory surface-hopping photoinduced dynamics from Rydberg states of trimethylamine.
    Pápai M; Li X; Nielsen MM; Møller KB
    Phys Chem Chem Phys; 2021 May; 23(18):10964-10977. PubMed ID: 33913464
    [TBL] [Abstract][Full Text] [Related]  

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