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 *

405 related articles for article (PubMed ID: 29076727)

  • 1. Pushing the Limits of EOM-CCSD with Projector-Based Embedding for Excitation Energies.
    Bennie SJ; Curchod BFE; Manby FR; Glowacki DR
    J Phys Chem Lett; 2017 Nov; 8(22):5559-5565. PubMed ID: 29076727
    [TBL] [Abstract][Full Text] [Related]  

  • 2. An EOM-CCSD-PCM Benchmark for Electronic Excitation Energies of Solvated Molecules.
    Ren S; Harms J; Caricato M
    J Chem Theory Comput; 2017 Jan; 13(1):117-124. PubMed ID: 27973775
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Rank reduced coupled cluster theory. II. Equation-of-motion coupled-cluster singles and doubles.
    Hohenstein EG; Zhao Y; Parrish RM; Martínez TJ
    J Chem Phys; 2019 Oct; 151(16):164121. PubMed ID: 31675873
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations.
    Goings JJ; Caricato M; Frisch MJ; Li X
    J Chem Phys; 2014 Oct; 141(16):164116. PubMed ID: 25362281
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Absolutely Localized Projection-Based Embedding for Excited States.
    Wen X; Graham DS; Chulhai DV; Goodpaster JD
    J Chem Theory Comput; 2020 Jan; 16(1):385-398. PubMed ID: 31769981
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Equation-of-Motion Coupled-Cluster Theory for Excitation Energies of Closed-Shell Systems with Spin-Orbit Coupling.
    Wang Z; Tu Z; Wang F
    J Chem Theory Comput; 2014 Dec; 10(12):5567-76. PubMed ID: 26583239
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride.
    Pavošević F; Hammes-Schiffer S
    J Chem Phys; 2019 Apr; 150(16):161102. PubMed ID: 31042898
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Using the ONIOM hybrid method to apply equation of motion CCSD to larger systems: benchmarking and comparison with time-dependent density functional theory, configuration interaction singles, and time-dependent Hartree-Fock.
    Caricato M; Vreven T; Trucks GW; Frisch MJ; Wiberg KB
    J Chem Phys; 2009 Oct; 131(13):134105. PubMed ID: 19814541
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Coupled-cluster treatment of complex open-shell systems: the case of single-molecule magnets.
    Alessio M; Paran GP; Utku C; Grüneis A; Jagau TC
    Phys Chem Chem Phys; 2024 Jun; 26(24):17028-17041. PubMed ID: 38836327
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Different equation-of-motion coupled cluster methods with different reference functions: the formyl radical.
    Kuś T; Bartlett RJ
    J Chem Phys; 2008 Sep; 129(10):104301. PubMed ID: 19044907
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach.
    Caricato M; Mennucci B; Scalmani G; Trucks GW; Frisch MJ
    J Chem Phys; 2010 Feb; 132(8):084102. PubMed ID: 20192285
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Why do TD-DFT excitation energies of BODIPY/Aza-BODIPY families largely deviate from experiment? Answers from electron correlated and multireference methods.
    Momeni MR; Brown A
    J Chem Theory Comput; 2015 Jun; 11(6):2619-32. PubMed ID: 26575559
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model.
    Caricato M; Lipparini F; Scalmani G; Cappelli C; Barone V
    J Chem Theory Comput; 2013 Jul; 9(7):3035-3042. PubMed ID: 26504458
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet Transitions.
    Li Z; Liu W
    J Chem Theory Comput; 2016 Jan; 12(1):238-60. PubMed ID: 26672389
    [TBL] [Abstract][Full Text] [Related]  

  • 15. UV excitations of halons.
    Stojanović L; Alyoubi AO; Aziz SG; Hilal RH; Barbatti M
    J Chem Phys; 2016 Nov; 145(18):184306. PubMed ID: 27846696
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Second- and third-order triples and quadruples corrections to coupled-cluster singles and doubles in the ground and excited states.
    Shiozaki T; Hirao K; Hirata S
    J Chem Phys; 2007 Jun; 126(24):244106. PubMed ID: 17614536
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory.
    Howard JC; Womack JC; Dziedzic J; Skylaris CK; Pritchard BP; Crawford TD
    J Chem Theory Comput; 2017 Nov; 13(11):5572-5581. PubMed ID: 28968495
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Static embedding with pair coupled cluster doubles based methods.
    Chakraborty R; Boguslawski K; Tecmer P
    Phys Chem Chem Phys; 2023 Sep; 25(37):25377-25388. PubMed ID: 37705409
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A new approach to approximate equation-of-motion coupled cluster with triple excitations.
    Matthews DA; Stanton JF
    J Chem Phys; 2016 Sep; 145(12):124102. PubMed ID: 27782677
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Low scaling EOM-CCSD and EOM-MBPT(2) method with natural transition orbitals.
    Park YC; Perera A; Bartlett RJ
    J Chem Phys; 2018 Nov; 149(18):184103. PubMed ID: 30441920
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 21.