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 *

281 related articles for article (PubMed ID: 30954051)

  • 21. On the accuracy of explicitly correlated coupled-cluster interaction energies--have orbital results been beaten yet?
    Patkowski K
    J Chem Phys; 2012 Jul; 137(3):034103. PubMed ID: 22830679
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Explicitly correlated coupled-cluster theory using cusp conditions. I. Perturbation analysis of coupled-cluster singles and doubles (CCSD-F12).
    Köhn A; Tew DP
    J Chem Phys; 2010 Nov; 133(17):174117. PubMed ID: 21054016
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations.
    Hillers-Bendtsen AE; Bykov D; Barnes A; Liakh D; Corzo HH; Olsen J; Jørgensen P; Mikkelsen KV
    J Chem Phys; 2023 Apr; 158(14):144111. PubMed ID: 37061462
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Remarkable Accuracy of an
    Small DW
    J Chem Theory Comput; 2020 Jul; 16(7):4014-4020. PubMed ID: 32551642
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation.
    Bozkaya U; Sherrill CD
    J Chem Phys; 2017 Jul; 147(4):044104. PubMed ID: 28764345
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Investigation of the Structural and Thermochemical Properties of [2.2.2]-Bicyclooctadiene Photoswitches.
    Hillers-Bendtsen AE; Quant M; Moth-Poulsen K; Mikkelsen KV
    J Phys Chem A; 2021 Dec; 125(48):10330-10339. PubMed ID: 34809434
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Calculated electronic transitions of the water ammonia complex.
    Lane JR; Vaida V; Kjaergaard HG
    J Chem Phys; 2008 Jan; 128(3):034302. PubMed ID: 18205493
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Coupled-cluster response theory with linear-r12 corrections: the CC2-R12 model for excitation energies.
    Fliegl H; Hättig C; Klopper W
    J Chem Phys; 2006 Jan; 124(4):044112. PubMed ID: 16460154
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Explicit correlation and basis set superposition error: the structure and energy of carbon dioxide dimer.
    McMahon JD; Lane JR
    J Chem Phys; 2011 Oct; 135(15):154309. PubMed ID: 22029315
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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]  

  • 31. Coupled-cluster calculations of the lowest 0-0 bands of the electronic excitation spectrum of naphthalene.
    Fliegl H; Sundholm D
    Phys Chem Chem Phys; 2014 Jun; 16(21):9859-65. PubMed ID: 24406689
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Excitation Energies of UO
    Zhang S; Wang F
    J Phys Chem A; 2017 May; 121(20):3966-3975. PubMed ID: 28485938
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T
    Guo Y; Riplinger C; Liakos DG; Becker U; Saitow M; Neese F
    J Chem Phys; 2020 Jan; 152(2):024116. PubMed ID: 31941297
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Benchmarking second order methods for the calculation of vertical electronic excitation energies: valence and Rydberg states in polycyclic aromatic hydrocarbons.
    Falden HH; Falster-Hansen KR; Bak KL; Rettrup S; Sauer SP
    J Phys Chem A; 2009 Oct; 113(43):11995-2012. PubMed ID: 19780572
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Accurate calculation and modeling of the adiabatic connection in density functional theory.
    Teale AM; Coriani S; Helgaker T
    J Chem Phys; 2010 Apr; 132(16):164115. PubMed ID: 20441266
    [TBL] [Abstract][Full Text] [Related]  

  • 36. A truncated version of reduced multireference coupled-cluster method with singles and doubles and noniterative triples: application to F2 and Ni(CO)n (n=1, 2, and 4).
    Li X; Paldus J
    J Chem Phys; 2006 Oct; 125(16):164107. PubMed ID: 17092063
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Analytic energy gradients for the orbital-optimized third-order Møller-Plesset perturbation theory.
    Bozkaya U
    J Chem Phys; 2013 Sep; 139(10):104116. PubMed ID: 24050337
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples.
    Li X; Paldus J
    J Chem Phys; 2006 May; 124(17):174101. PubMed ID: 16689561
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Developments in stochastic coupled cluster theory: The initiator approximation and application to the uniform electron gas.
    Spencer JS; Thom AJ
    J Chem Phys; 2016 Feb; 144(8):084108. PubMed ID: 26931682
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Equation-of-motion coupled-cluster study on exciton states of polyethylene with periodic boundary condition.
    Katagiri H
    J Chem Phys; 2005 Jun; 122(22):224901. PubMed ID: 15974710
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 15.