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 *

203 related articles for article (PubMed ID: 35986558)

  • 1. Improved Estimates of Host-Guest Interaction Energies for Endohedral Fullerenes Containing Rare Gas Atoms, Small Molecules, and Cations.
    Saroj A; Ramanathan V; Kumar Mishra B; Panda AN; Sathyamurthy N
    Chemphyschem; 2022 Dec; 23(24):e202200413. PubMed ID: 35986558
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Local energy decomposition analysis and molecular properties of encapsulated methane in fullerene (CH
    Jaworski A; Hedin N
    Phys Chem Chem Phys; 2021 Oct; 23(38):21554-21567. PubMed ID: 34550137
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Coupled Cluster Benchmarking of Large Noncovalent Complexes in L7 and S12L as Well as the C
    Villot C; Ballesteros F; Wang D; Lao KU
    J Phys Chem A; 2022 Jul; 126(27):4326-4341. PubMed ID: 35766331
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Is this a chemical bond? A theoretical study of Ng2@C60 (Ng=He, Ne, Ar, Kr, Xe).
    Krapp A; Frenking G
    Chemistry; 2007; 13(29):8256-70. PubMed ID: 17639524
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)].
    Guo Y; Riplinger C; Becker U; Liakos DG; Minenkov Y; Cavallo L; Neese F
    J Chem Phys; 2018 Jan; 148(1):011101. PubMed ID: 29306283
    [TBL] [Abstract][Full Text] [Related]  

  • 6. On the viability of small endohedral hydrocarbon cage complexes: X@C4H4, X@C8H8, X@C8H14, X@C10H16, X@C12H12, AND X@C16H16.
    Moran D; Woodcock HL; Chen Z; Schaefer HF; Schleyer PV
    J Am Chem Soc; 2003 Sep; 125(37):11442-51. PubMed ID: 16220967
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Small Molecules in C60 and C70: Which Complexes Could Be Stabilized?
    Korona T; Dodziuk H
    J Chem Theory Comput; 2011 May; 7(5):1476-83. PubMed ID: 26610138
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. HFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems †.
    Altun A; Neese F; Bistoni G
    J Chem Theory Comput; 2019 Nov; 15(11):5894-5907. PubMed ID: 31538779
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method: improving upon CCSD(T) and CCSD(T)(Λ): preliminary application.
    Bozkaya U; Schaefer HF
    J Chem Phys; 2012 May; 136(20):204114. PubMed ID: 22667547
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Vibrational spectra of La@C
    Civiš S; Krisilov AV; Ferus M; Nechaev IV; Kubelík P; Chernov VE; Zon BA
    Spectrochim Acta A Mol Biomol Spectrosc; 2021 Jun; 254():119593. PubMed ID: 33721750
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A theoretical study of complexes between fullerenes and concave receptors with interest in photovoltaics.
    Cabaleiro-Lago EM; Rodríguez-Otero J; Carrazana-García JA
    Phys Chem Chem Phys; 2017 Oct; 19(39):26787-26798. PubMed ID: 28948986
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Origin of Reactivity Trends of Noble Gas Endohedral Fullerenes Ng2@C60 (Ng = He to Xe).
    Fernández I; Solà M; Bickelhaupt FM
    J Chem Theory Comput; 2014 Sep; 10(9):3863-70. PubMed ID: 26588531
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Toward a less costly but accurate calculation of the CCSD(T)/CBS noncovalent interaction energy.
    Chen JL; Sun T; Wang YB; Wang W
    J Comput Chem; 2020 May; 41(13):1252-1260. PubMed ID: 32045021
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory.
    Liakos DG; Neese F
    J Chem Theory Comput; 2015 Sep; 11(9):4054-63. PubMed ID: 26575901
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules.
    Wang Y; Guo Y; Neese F; Valeev EF; Li W; Li S
    J Chem Theory Comput; 2023 Nov; 19(22):8076-8089. PubMed ID: 37920973
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Theoretical study of icosahedral closo-borane, -alane, and -gallane dianions (A(12)H(12)(2-); A = B, Al, Ga) with endohedral noble gas atoms (Ng = He, Ne, Ar, and Kr) and their lithium salts (Li[Ng@A(12)H(12)](-) and Li(2)[Ng@A(12)H(12)]).
    Charkin OP; Klimenko NM; Moran D; Mebel AM; Charkin DO; Schleyer PR
    Inorg Chem; 2001 Dec; 40(27):6913-22. PubMed ID: 11754272
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Coupled cluster benchmarks of large noncovalent complexes: The L7 dataset as well as DNA-ellipticine and buckycatcher-fullerene.
    Ballesteros F; Dunivan S; Lao KU
    J Chem Phys; 2021 Apr; 154(15):154104. PubMed ID: 33887937
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Unimolecular dissociations of C70+ and its noble gas endohedral cations Ne@C70+ and Ar@C70+: cage-binding energies for C2 loss.
    Cao B; Peres T; Cross RJ; Saunders M; Lifshitz C
    J Phys Chem A; 2005 Nov; 109(45):10257-63. PubMed ID: 16833319
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory.
    Garcia-Ratés M; Becker U; Neese F
    J Comput Chem; 2021 Oct; 42(27):1959-1973. PubMed ID: 34347890
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.