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 *

248 related articles for article (PubMed ID: 21568494)

  • 1. Explicitly correlated multireference configuration interaction with multiple reference functions: avoided crossings and conical intersections.
    Shiozaki T; Werner HJ
    J Chem Phys; 2011 May; 134(18):184104. PubMed ID: 21568494
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Explicitly correlated multireference configuration interaction: MRCI-F12.
    Shiozaki T; Knizia G; Werner HJ
    J Chem Phys; 2011 Jan; 134(3):034113. PubMed ID: 21261336
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Avoided crossings, conical intersections, and low-lying excited states with a single reference method: the restricted active space spin-flip configuration interaction approach.
    Casanova D
    J Chem Phys; 2012 Aug; 137(8):084105. PubMed ID: 22938216
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A convenient decontraction procedure of internally contracted state-specific multireference algorithms.
    Angeli C; Calzado CJ; Cimiraglia R; Malrieu JP
    J Chem Phys; 2006 Jun; 124(23):234109. PubMed ID: 16821909
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Communication: extended multi-state complete active space second-order perturbation theory: energy and nuclear gradients.
    Shiozaki T; Gyorffy W; Celani P; Werner HJ
    J Chem Phys; 2011 Aug; 135(8):081106. PubMed ID: 21895152
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Theory of the photodissociation of ozone in the Hartley continuum: potential energy surfaces, conical intersections, and photodissociation dynamics.
    Baloïtcha E; Balint-Kurti GG
    J Chem Phys; 2005 Jul; 123(1):014306. PubMed ID: 16035834
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Pyrazine excited states revisited using the extended multi-state complete active space second-order perturbation method.
    Shiozaki T; Woywod C; Werner HJ
    Phys Chem Chem Phys; 2013 Jan; 15(1):262-9. PubMed ID: 23160235
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Communication: An accurate global potential energy surface for the ground electronic state of ozone.
    Dawes R; Lolur P; Li A; Jiang B; Guo H
    J Chem Phys; 2013 Nov; 139(20):201103. PubMed ID: 24289336
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical study of the photoinduced transfer among the ground state and two metastable states in [Fe(CN)5NO]2-.
    Ishikawa T; Tanaka K
    J Chem Phys; 2005 Feb; 122(7):074314. PubMed ID: 15743239
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Conical intersections in thymine.
    Perun S; Sobolewski AL; Domcke W
    J Phys Chem A; 2006 Dec; 110(49):13238-44. PubMed ID: 17149840
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Assessment of noncollinear spin-flip Tamm-Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane.
    Huix-Rotllant M; Natarajan B; Ipatov A; Wawire CM; Deutsch T; Casida ME
    Phys Chem Chem Phys; 2010 Oct; 12(39):12811-25. PubMed ID: 20820556
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Interaction between LiH molecule and Li atom from state-of-the-art electronic structure calculations.
    Skomorowski W; Pawłowski F; Korona T; Moszynski R; Żuchowski PS; Hutson JM
    J Chem Phys; 2011 Mar; 134(11):114109. PubMed ID: 21428609
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states.
    Shu Y; Hohenstein EG; Levine BG
    J Chem Phys; 2015 Jan; 142(2):024102. PubMed ID: 25591333
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A multireference configuration interaction investigation of the excited-state energy surfaces of fluoroethylene (C2H3F).
    Barbatti M; Aquino AJ; Lischka H
    J Phys Chem A; 2005 Jun; 109(23):5168-75. PubMed ID: 16833872
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Multireference configuration interaction calculations for the F(2P)+HCl-->HF+Cl(2P) reaction: a correlation scaled ground state (1 2A') potential energy surface.
    Deskevich MP; Hayes MY; Takahashi K; Skodje RT; Nesbitt DJ
    J Chem Phys; 2006 Jun; 124(22):224303. PubMed ID: 16784270
    [TBL] [Abstract][Full Text] [Related]  

  • 17. An ab initio study of the excited States, isomerization energy profiles and conical intersections of a chiral cyclohexylidene derivative.
    Schreiber M; Barbatti M; Zilberg S; Lischka H; Gonzalez L
    J Phys Chem A; 2007 Jan; 111(2):238-43. PubMed ID: 17214459
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multireference configuration interaction calculation of the B(2)a"-X(2)a" transition of halogen- and methyl-substituted vinoxy radicals.
    Yamaguchi M; Inomata S; Washida N
    J Phys Chem A; 2006 Nov; 110(45):12419-26. PubMed ID: 17091944
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Computation of conical intersections by using perturbation techniques.
    Serrano-Andrés L; Merchán M; Lindh R
    J Chem Phys; 2005 Mar; 122(10):104107. PubMed ID: 15836309
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Quantum chemical investigation of the electronic spectra of the keto, enol, and keto-imine tautomers of cytosine.
    Tomić K; Tatchen J; Marian CM
    J Phys Chem A; 2005 Sep; 109(37):8410-8. PubMed ID: 16834234
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.