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 *

283 related articles for article (PubMed ID: 25168234)

  • 1. Quartic force fields for excited electronic states: rovibronic reference data for the 1 (2)A' and 1 (2)A″ states of the isoformyl radical, HOC.
    Morgan WJ; Fortenberry RC
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():965-72. PubMed ID: 25168234
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Performance of EOM-CCSD(T)(a)*-Based Quartic Force Fields in Computing Fundamental, Anharmonic Vibrational Frequencies of Molecular Electronically Excited States with Application to the
    Watrous AG; Davis MC; Fortenberry RC
    J Phys Chem A; 2024 Mar; 128(11):2150-2161. PubMed ID: 38466814
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Theoretical Rovibronic Treatment of the X̃ (2)Σ(+) and à (2)Π States of C2H and the X̃ (1)Σ(+) State of C2H(-) from Quartic Force Fields.
    Morgan WJ; Fortenberry RC
    J Phys Chem A; 2015 Jul; 119(27):7013-25. PubMed ID: 26061535
    [TBL] [Abstract][Full Text] [Related]  

  • 4. (T)+EOM Quartic Force Fields for Theoretical Vibrational Spectroscopy of Electronically Excited States.
    Davis MC; Fortenberry RC
    J Chem Theory Comput; 2021 Jul; 17(7):4374-4382. PubMed ID: 34165980
    [TBL] [Abstract][Full Text] [Related]  

  • 5. DFT + F12 QFFs for Cost-Effective Rovibrational Spectral Data Predictions of Ground and Excited Electronic States.
    Garrett NR; Davis MC; Fortenberry RC
    J Chem Theory Comput; 2024 Feb; 20(3):1324-1336. PubMed ID: 38230913
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Complete, Theoretical Rovibronic Spectral Characterization of the Carbon Monoxide, Water, and Formaldehyde Cations.
    Davis MC; Huang X; Fortenberry RC
    Molecules; 2023 Feb; 28(4):. PubMed ID: 36838769
    [TBL] [Abstract][Full Text] [Related]  

  • 7. F12+EOM Quartic Force Fields for Rovibrational Predictions of Electronically Excited States.
    Davis MC; Garrett NR; Fortenberry RC
    J Phys Chem A; 2023 Jun; 127(22):4771-4779. PubMed ID: 37235692
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Highly accurate quartic force fields, vibrational frequencies, and spectroscopic constants for cyclic and linear C3H3(+).
    Huang X; Taylor PR; Lee TJ
    J Phys Chem A; 2011 May; 115(19):5005-16. PubMed ID: 21510653
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: application to H2O, N2H+, NO2+, and C2H2.
    Huang X; Valeev EF; Lee TJ
    J Chem Phys; 2010 Dec; 133(24):244108. PubMed ID: 21197977
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. A procedure for computing accurate ab initio quartic force fields: Application to HO2+ and H2O.
    Huang X; Lee TJ
    J Chem Phys; 2008 Jul; 129(4):044312. PubMed ID: 18681651
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB; Turney JM; Richardson NA; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2006 Sep; 125(10):104306. PubMed ID: 16999525
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structure and spectroscopic properties of low-lying states of the HOC(O)O radical.
    Linguerri R; Puzzarini C; Francisco JS
    J Chem Phys; 2016 Feb; 144(8):084306. PubMed ID: 26931701
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?
    Rishi V; Perera A; Nooijen M; Bartlett RJ
    J Chem Phys; 2017 Apr; 146(14):144104. PubMed ID: 28411589
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Benchmarking for perturbative triple-excitations in EE-EOM-CC methods.
    Watson TJ; Lotrich VF; Szalay PG; Perera A; Bartlett RJ
    J Phys Chem A; 2013 Mar; 117(12):2569-79. PubMed ID: 23406329
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Accurate ab initio quartic force fields of cyclic and bent HC2N isomers.
    Inostroza N; Huang X; Lee TJ
    J Chem Phys; 2011 Dec; 135(24):244310. PubMed ID: 22225159
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Vibrational frequencies and spectroscopic constants for 1 3A' HNC and 1 3A' HOC+ from high-accuracy quartic force fields.
    Fortenberry RC; Crawford TD; Lee TJ
    J Phys Chem A; 2013 Nov; 117(44):11339-45. PubMed ID: 24102307
    [TBL] [Abstract][Full Text] [Related]  

  • 20. New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states.
    Kowalski K; Piecuch P
    J Chem Phys; 2004 Jan; 120(4):1715-38. PubMed ID: 15268302
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.