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 *

354 related articles for article (PubMed ID: 24403018)

  • 21. Application of state-specific multireference Møller-Plesset perturbation theory to nonsinglet states.
    Mahapatra US; Chattopadhyay S; Chaudhuri RK
    J Chem Phys; 2009 Jan; 130(1):014101. PubMed ID: 19140606
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Potential energy curves via double electron-attachment calculations: dissociation of alkali metal dimers.
    Musiał M; Kowalska-Szojda K; Lyakh DI; Bartlett RJ
    J Chem Phys; 2013 May; 138(19):194103. PubMed ID: 23697405
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Automatic Active Space Selection for Calculating Electronic Excitation Energies Based on High-Spin Unrestricted Hartree-Fock Orbitals.
    Bao JJ; Truhlar DG
    J Chem Theory Comput; 2019 Oct; 15(10):5308-5318. PubMed ID: 31411880
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Taming the excited states of butadiene, hexatriene, and octatetraene using state specific multireference perturbation theory with density functional theory orbitals.
    Manna S; Chaudhuri RK; Chattopadhyay S
    J Chem Phys; 2020 Jun; 152(24):244105. PubMed ID: 32610953
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Reaching Full Correlation through Nonorthogonal Configuration Interaction: A Second-Order Perturbative Approach.
    Burton HGA; Thom AJW
    J Chem Theory Comput; 2020 Sep; 16(9):5586-5600. PubMed ID: 32786910
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Coupled cluster methods including triple excitations for excited states of radicals.
    Smith CE; King RA; Crawford TD
    J Chem Phys; 2005 Feb; 122(5):54110. PubMed ID: 15740313
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Second-order state-specific multireference Møller Plesset perturbation theory: Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadiene.
    Mahapatra US; Chattopadhyay S; Chaudhuri RK
    J Comput Chem; 2011 Jan; 32(2):325-37. PubMed ID: 20683857
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Improved virtual orbital multireference Møller-Plesset study of the ground and excited electronic states of protonated acetylene, C2H3+.
    Chaudhuri RK; Freed KF
    J Chem Phys; 2008 Aug; 129(5):054308. PubMed ID: 18698901
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S; Neese F
    J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Multireference equation-of-motion coupled cluster theory.
    Datta D; Nooijen M
    J Chem Phys; 2012 Nov; 137(20):204107. PubMed ID: 23205981
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Excited states of large open-shell molecules: an efficient, general, and spin-adapted approach based on a restricted open-shell ground state wave function.
    Roemelt M; Neese F
    J Phys Chem A; 2013 Apr; 117(14):3069-83. PubMed ID: 23510206
    [TBL] [Abstract][Full Text] [Related]  

  • 32. On orthogonality constrained multiple core-hole states and optimized effective potential method.
    Glushkov VN; Assfeld X
    J Comput Chem; 2012 Oct; 33(26):2058-66. PubMed ID: 22696265
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Ab initio molecular orbital study of ground and low-lying electronic states of CoCN.
    Hirano T; Okuda R; Nagashima U; Jensen P
    J Chem Phys; 2007 Jul; 127(1):014303. PubMed ID: 17627342
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Ab initio multireference investigation of disjoint diradicals: singlet versus triplet ground states.
    Chattopadhyay S; Chaudhuri RK; Mahapatra US
    Chemphyschem; 2011 Oct; 12(15):2791-7. PubMed ID: 22002893
    [TBL] [Abstract][Full Text] [Related]  

  • 35. High-Multiplicity Natural Orbitals in Multireference Configuration Interaction for Excited States.
    Lu Z; Matsika S
    J Chem Theory Comput; 2012 Feb; 8(2):509-17. PubMed ID: 26596601
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Multireference spin-adapted variant of density functional theory.
    Khait YG; Hoffmann MR
    J Chem Phys; 2004 Mar; 120(11):5005-16. PubMed ID: 15267366
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Ab initio calculation of the electronic structures of the (7)Sigma+ ground and A (7)Pi and a (5)Sigma+ excited states of MnH.
    Tomonari M; Nagashima U; Hirano T
    J Chem Phys; 2009 Apr; 130(15):154105. PubMed ID: 19388734
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Spin-free intermediate Hamiltonian Fock space coupled-cluster theory with full inclusion of triple excitations for restricted Hartree Fock based triplet states.
    Musial M; Bartlett RJ
    J Chem Phys; 2008 Dec; 129(24):244111. PubMed ID: 19123499
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Third- and fourth-order perturbation corrections to excitation energies from configuration interaction singles.
    Hirata S
    J Chem Phys; 2005 Mar; 122(9):094105. PubMed ID: 15836110
    [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 18.