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 *

115 related articles for article (PubMed ID: 38912674)

  • 1. Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning.
    Hait D; Lahana D; Fajen OJ; Paz ASP; Unzueta PA; Rana B; Lu L; Wang Y; Kjønstad EF; Koch H; Martínez TJ
    J Chem Phys; 2024 Jun; 160(24):. PubMed ID: 38912674
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The photochemistry of Rydberg-excited cyclobutanone: Photoinduced processes and ground state dynamics.
    Eng J; Rankine CD; Penfold TJ
    J Chem Phys; 2024 Apr; 160(15):. PubMed ID: 38619456
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab Initio Multiple Spawning Photochemical Dynamics of DMABN Using GPUs.
    Curchod BF; Sisto A; Martínez TJ
    J Phys Chem A; 2017 Jan; 121(1):265-276. PubMed ID: 27976899
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Ultrafast electron diffraction of photoexcited gas-phase cyclobutanone predicted by ab initio multiple cloning simulations.
    Makhov DV; Hutton L; Kirrander A; Shalashilin DV
    J Chem Phys; 2024 Apr; 160(16):. PubMed ID: 38661201
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Excited-State Dynamics during Primary C-I Homolysis in Acetyl Iodide Revealed by Ultrafast Core-Level Spectroscopy.
    Troß J; Carter-Fenk K; Cole-Filipiak NC; Schrader P; Word M; McCaslin LM; Head-Gordon M; Ramasesha K
    J Phys Chem A; 2023 May; 127(18):4103-4114. PubMed ID: 37103479
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Photodissociation of FONO: an excited state nonadiabatic dynamics study.
    Hilal AR; Hilal R
    J Mol Model; 2017 Mar; 23(3):77. PubMed ID: 28204944
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Can TDDFT Describe Excited Electronic States of Naphthol Photoacids? A Closer Look with EOM-CCSD.
    Acharya A; Chaudhuri S; Batista VS
    J Chem Theory Comput; 2018 Feb; 14(2):867-876. PubMed ID: 29298059
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Role of Rydberg states in the photochemical dynamics of ethylene.
    Mori T; Glover WJ; Schuurman MS; Martinez TJ
    J Phys Chem A; 2012 Mar; 116(11):2808-18. PubMed ID: 22148837
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Prediction challenge: First principles simulation of the ultrafast electron diffraction spectrum of cyclobutanone.
    Suchan J; Liang F; Durden AS; Levine BG
    J Chem Phys; 2024 Apr; 160(13):. PubMed ID: 38573851
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Photofragmentation of cyclobutanone at 200 nm: TDDFT vs CASSCF electron diffraction.
    Martín Santa Daría A; Hernández-Rodríguez J; Ibele LM; Gómez S
    J Chem Phys; 2024 Mar; 160(11):. PubMed ID: 38488082
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ultrafast photochemistry and electron diffraction for cyclobutanone in the S2 state: Surface hopping with time-dependent density functional theory.
    Miller ER; Hoehn SJ; Kumar A; Jiang D; Parker SM
    J Chem Phys; 2024 Jul; 161(3):. PubMed ID: 39007373
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods.
    Mukherjee S; Mattos RS; Toldo JM; Lischka H; Barbatti M
    J Chem Phys; 2024 Apr; 160(15):. PubMed ID: 38624122
    [TBL] [Abstract][Full Text] [Related]  

  • 15.
    Yu JK; Bannwarth C; Hohenstein EG; Martínez TJ
    J Chem Theory Comput; 2020 Sep; 16(9):5499-5511. PubMed ID: 32786902
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited states.
    Villaume S; Daniel C; Strich A; Perera SA; Bartlett RJ
    J Chem Phys; 2005 Jan; 122(4):44313. PubMed ID: 15740254
    [TBL] [Abstract][Full Text] [Related]  

  • 18. UV-photoexcitation and ultrafast dynamics of HCFC-132b (CF2 ClCH2 Cl).
    Rodrigues GP; Ventura E; Andrade do Monte S; Barbatti M
    J Comput Chem; 2016 Mar; 37(7):675-83. PubMed ID: 26606893
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Targeting Doubly Excited States with Equation of Motion Coupled Cluster Theory Restricted to Double Excitations.
    Boguslawski K
    J Chem Theory Comput; 2019 Jan; 15(1):18-24. PubMed ID: 30525613
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.