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.
208 related articles for article (PubMed ID: 21410273)
1. Evaluation of theoretical approaches for describing the interaction of water with linear acenes. Jenness GR; Karalti O; Al-Saidi WA; Jordan KD J Phys Chem A; 2011 Jun; 115(23):5955-64. PubMed ID: 21410273 [TBL] [Abstract][Full Text] [Related]
2. How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-pi and pi-pi interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer. Tekin A; Jansen G Phys Chem Chem Phys; 2007 Apr; 9(14):1680-7. PubMed ID: 17396179 [TBL] [Abstract][Full Text] [Related]
3. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations. Misquitta AJ; Podeszwa R; Jeziorski B; Szalewicz K J Chem Phys; 2005 Dec; 123(21):214103. PubMed ID: 16356035 [TBL] [Abstract][Full Text] [Related]
4. Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods. Jenness GR; Karalti O; Jordan KD Phys Chem Chem Phys; 2010 Jun; 12(24):6375-81. PubMed ID: 20414490 [TBL] [Abstract][Full Text] [Related]
5. Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies. Hesselmann A; Jansen G; Schütz M J Chem Phys; 2005 Jan; 122(1):14103. PubMed ID: 15638638 [TBL] [Abstract][Full Text] [Related]
6. On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT+Disp methods for the interaction energies of endohedral complexes of the C(60) fullerene with a rare gas atom. Hesselmann A; Korona T Phys Chem Chem Phys; 2011 Jan; 13(2):732-43. PubMed ID: 21046038 [TBL] [Abstract][Full Text] [Related]
7. Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters. Wang FF; Jenness G; Al-Saidi WA; Jordan KD J Chem Phys; 2010 Apr; 132(13):134303. PubMed ID: 20387929 [TBL] [Abstract][Full Text] [Related]
8. Comparison of intermolecular interaction energies from SAPT and DFT including empirical dispersion contributions. Hesselmann A J Phys Chem A; 2011 Oct; 115(41):11321-30. PubMed ID: 21806071 [TBL] [Abstract][Full Text] [Related]
9. Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules. Nguyen BD; Chen GP; Agee MM; Burow AM; Tang MP; Furche F J Chem Theory Comput; 2020 Apr; 16(4):2258-2273. PubMed ID: 32105488 [TBL] [Abstract][Full Text] [Related]
10. Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers. Bukowski R; Szalewicz K; Groenenboom G; van der Avoird A J Chem Phys; 2006 Jul; 125(4):44301. PubMed ID: 16942136 [TBL] [Abstract][Full Text] [Related]
11. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer. Pitonák M; Riley KE; Neogrády P; Hobza P Chemphyschem; 2008 Aug; 9(11):1636-44. PubMed ID: 18574830 [TBL] [Abstract][Full Text] [Related]
12. Intermolecular interactions in weak donor-acceptor complexes from symmetry-adapted perturbation and coupled-cluster theory: tetracyanoethylene-benzene and tetracyanoethylene-p-xylene. Kuchenbecker D; Jansen G Chemphyschem; 2012 Aug; 13(11):2769-76. PubMed ID: 22696390 [TBL] [Abstract][Full Text] [Related]
13. A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes. Hajgató B; Szieberth D; Geerlings P; De Proft F; Deleuze MS J Chem Phys; 2009 Dec; 131(22):224321. PubMed ID: 20001050 [TBL] [Abstract][Full Text] [Related]
14. Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers. Podeszwa R; Szalewicz K J Chem Phys; 2007 May; 126(19):194101. PubMed ID: 17523792 [TBL] [Abstract][Full Text] [Related]
15. Frozen core and effective core potentials in symmetry-adapted perturbation theory. Patkowski K; Szalewicz K J Chem Phys; 2007 Oct; 127(16):164103. PubMed ID: 17979315 [TBL] [Abstract][Full Text] [Related]
16. The nature of interactions between clusters of Mg and Zn with HCN from symmetry-adapted perturbation theory based of DFT. Snyder DN; Szcześniak MM; Chałasiński G J Chem Phys; 2009 Jun; 130(22):224704. PubMed ID: 19530781 [TBL] [Abstract][Full Text] [Related]
17. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory. Pai CC; Li AH; Chao SD J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367 [TBL] [Abstract][Full Text] [Related]
18. Theoretical study of properties of H bonds and intermolecular interactions in linear cis-,trans-cyclotriazane clusters (n = 2-8). Song HJ; Xiao HM; Dong HS J Chem Phys; 2006 Feb; 124(7):74317. PubMed ID: 16497046 [TBL] [Abstract][Full Text] [Related]
19. Theoretical study of the binding energy of a methane molecule in a (H2O)20 dodecahedral cage. Deible MJ; Tuguldur O; Jordan KD J Phys Chem B; 2014 Jul; 118(28):8257-63. PubMed ID: 24739053 [TBL] [Abstract][Full Text] [Related]
20. Electronically Excited States of Higher Acenes up to Nonacene: A Density Functional Theory/Multireference Configuration Interaction Study. Bettinger HF; Tönshoff C; Doerr M; Sanchez-Garcia E J Chem Theory Comput; 2016 Jan; 12(1):305-12. PubMed ID: 26631618 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]