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 *

221 related articles for article (PubMed ID: 30110157)

  • 21. UREMP, RO-REMP, and OO-REMP: Hybrid perturbation theories for open-shell electronic structure calculations.
    Behnle S; Fink RF
    J Chem Phys; 2022 Mar; 156(12):124103. PubMed ID: 35364878
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Singlet-triplet energy splitting and excited states of phenylnitrene.
    Winkler M
    J Phys Chem A; 2008 Sep; 112(37):8649-53. PubMed ID: 18714972
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Comprehensive Benchmark Results for the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO-CCSD(T)) for Closed- and Open-Shell Systems.
    Liakos DG; Guo Y; Neese F
    J Phys Chem A; 2020 Jan; 124(1):90-100. PubMed ID: 31841627
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
    Schwabe T; Grimme S
    Acc Chem Res; 2008 Apr; 41(4):569-79. PubMed ID: 18324790
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Accurate calculation and modeling of the adiabatic connection in density functional theory.
    Teale AM; Coriani S; Helgaker T
    J Chem Phys; 2010 Apr; 132(16):164115. PubMed ID: 20441266
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
    Khvostichenko D; Choi A; Boulatov R
    J Phys Chem A; 2008 Apr; 112(16):3700-11. PubMed ID: 18348545
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Systematic High-Accuracy Prediction of Electron Affinities for Biological Quinones.
    Schulz CE; Dutta AK; Izsák R; Pantazis DA
    J Comput Chem; 2018 Nov; 39(29):2439-2451. PubMed ID: 30281169
    [TBL] [Abstract][Full Text] [Related]  

  • 28. CBS extrapolation in electronic structure pushed to the end: a revival of minimal and sub-minimal basis sets.
    Varandas AJC
    Phys Chem Chem Phys; 2018 Aug; 20(34):22084-22098. PubMed ID: 30113053
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method.
    Lang J; Brabec J; Saitow M; Pittner J; Neese F; Demel O
    Phys Chem Chem Phys; 2019 Feb; 21(9):5022-5038. PubMed ID: 30762044
    [TBL] [Abstract][Full Text] [Related]  

  • 30. The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights.
    Zheng J; Zhao Y; Truhlar DG
    J Chem Theory Comput; 2009 Apr; 5(4):808-21. PubMed ID: 26609587
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory.
    Garcia-Ratés M; Becker U; Neese F
    J Comput Chem; 2021 Oct; 42(27):1959-1973. PubMed ID: 34347890
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Predicting singlet-triplet energy splittings with projected Hartree-Fock methods.
    Rivero P; Jiménez-Hoyos CA; Scuseria GE
    J Phys Chem A; 2013 Aug; 117(33):8073-80. PubMed ID: 23865687
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Scalable Electron Correlation Methods. 5. Parallel Perturbative Triples Correction for Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals.
    Ma Q; Werner HJ
    J Chem Theory Comput; 2018 Jan; 14(1):198-215. PubMed ID: 29211961
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Basis set convergence of the coupled-cluster correction, δ(MP2)(CCSD(T)): best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases.
    Marshall MS; Burns LA; Sherrill CD
    J Chem Phys; 2011 Nov; 135(19):194102. PubMed ID: 22112061
    [TBL] [Abstract][Full Text] [Related]  

  • 35. A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory.
    Saitow M; Becker U; Riplinger C; Valeev EF; Neese F
    J Chem Phys; 2017 Apr; 146(16):164105. PubMed ID: 28456208
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics.
    Drosou M; Mitsopoulou CA; Pantazis DA
    J Chem Theory Comput; 2022 Jun; 18(6):3538-3548. PubMed ID: 35582788
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 1,1-Dilithioethylene: Toward Spectroscopic Identification of the Definitive Singlet Ground Electronic State of a Peculiar Structure.
    Liu Y; Wang X; Liu Y; Zhong R; Xie Y; Schaefer HF
    Chemphyschem; 2016 Jun; 17(11):1623-9. PubMed ID: 27038425
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Application of the unified singlet and triplet electron-pair extrapolation scheme with basis set rehierarchization to tensorial properties.
    Pansini FN; Neto AC; Varandas AJ
    J Phys Chem A; 2015 Feb; 119(7):1208-17. PubMed ID: 25619823
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Is spin-component scaled second-order Møller-Plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules?
    Antony J; Grimme S
    J Phys Chem A; 2007 Jun; 111(22):4862-8. PubMed ID: 17506533
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Assessment of the accuracy of density functionals for prediction of relative energies and geometries of low-lying isomers of water hexamers.
    Dahlke EE; Olson RM; Leverentz HR; Truhlar DG
    J Phys Chem A; 2008 May; 112(17):3976-84. PubMed ID: 18393474
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.