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.
135 related articles for article (PubMed ID: 16365867)
1. Structure, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. IV. Dihydrophospholophosphole isomers. Cuesta IG; Sánchez De Merás AM; Lazzeretti P J Comput Chem; 2006 Feb; 27(3):344-51. PubMed ID: 16365867 [TBL] [Abstract][Full Text] [Related]
2. Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. II. Furo-furan isomers. García Cuesta I; Soriano Jartín R; Sánchez de Merás A; Lazzeretti P J Chem Phys; 2004 Apr; 120(14):6542-50. PubMed ID: 15267545 [TBL] [Abstract][Full Text] [Related]
3. Assessment of sigma-diatropicity of the cyclopropane molecule. Pelloni S; Lazzeretti P; Zanasi R J Phys Chem A; 2007 Aug; 111(33):8163-9. PubMed ID: 17665879 [TBL] [Abstract][Full Text] [Related]
4. The ring current model of the pentaprismane molecule. Pelloni S; Carion R; Liégeois V; Lazzeretti P J Comput Chem; 2011 Jun; 32(8):1599-611. PubMed ID: 21370237 [TBL] [Abstract][Full Text] [Related]
5. Understanding the ring current effects on magnetic shielding of hydrogen and carbon nuclei in naphthalene and anthracene. Cuesta IG; De Merás AS; Pelloni S; Lazzeretti P J Comput Chem; 2009 Mar; 30(4):551-64. PubMed ID: 18711723 [TBL] [Abstract][Full Text] [Related]
6. Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. III. Introduction of gauge-including atomic orbitals and a finite-size nuclear model. Hamaya S; Maeda H; Funaki M; Fukui H J Chem Phys; 2008 Dec; 129(22):224103. PubMed ID: 19071903 [TBL] [Abstract][Full Text] [Related]
7. Four-component relativistic theory for nuclear magnetic shielding: magnetically balanced gauge-including atomic orbitals. Cheng L; Xiao Y; Liu W J Chem Phys; 2009 Dec; 131(24):244113. PubMed ID: 20059060 [TBL] [Abstract][Full Text] [Related]
8. Theoretical investigation of hydrogen bonding effects on oxygen, nitrogen, and hydrogen chemical shielding and electric field gradient tensors of chitosan/HI salt. Khodaei S; Hadipour NL; Kasaai MR Carbohydr Res; 2007 Nov; 342(16):2396-403. PubMed ID: 17707780 [TBL] [Abstract][Full Text] [Related]
11. Gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach. II. Density functional and coupled cluster theory. Ligabue A; Sauer SP; Lazzeretti P J Chem Phys; 2007 Apr; 126(15):154111. PubMed ID: 17461618 [TBL] [Abstract][Full Text] [Related]
12. Beyond NICS: estimation of the magnetotropicity of inorganic unsaturated planar rings. Pelloni S; Monaco G; Lazzeretti P; Zanasi R Phys Chem Chem Phys; 2011 Dec; 13(46):20666-72. PubMed ID: 21993450 [TBL] [Abstract][Full Text] [Related]
13. Nuclear magnetic shielding constants of liquid water: insights from hybrid quantum mechanics/molecular mechanics models. Kongsted J; Nielsen CB; Mikkelsen KV; Christiansen O; Ruud K J Chem Phys; 2007 Jan; 126(3):034510. PubMed ID: 17249887 [TBL] [Abstract][Full Text] [Related]
14. Current density, chemical shifts and aromaticity. Fowler PW; Steiner E; Havenith RW; Jenneskens LW Magn Reson Chem; 2004 Oct; 42 Spec no():S68-78. PubMed ID: 15366043 [TBL] [Abstract][Full Text] [Related]
16. Solid-state NMR spectra and long intradimer bonds in the pi-[TCNE]22- dianion. Strohmeier M; Barich DH; Grant DM; Miller JS; Pugmire RJ; Simons J J Phys Chem A; 2006 Jun; 110(25):7962-9. PubMed ID: 16789786 [TBL] [Abstract][Full Text] [Related]
17. On the existence of a natural common gauge-origin for the calculation of magnetic properties of atoms and molecules via gaugeless basis sets. Pelloni S; Lazzeretti P J Chem Phys; 2012 Apr; 136(16):164110. PubMed ID: 22559473 [TBL] [Abstract][Full Text] [Related]
18. Maps of current density using density-functional methods. Soncini A; Teale AM; Helgaker T; De Proft F; Tozer DJ J Chem Phys; 2008 Aug; 129(7):074101. PubMed ID: 19044754 [TBL] [Abstract][Full Text] [Related]
19. Gaussian basis set of double zeta quality for atoms K through Kr: application in DFT calculations of molecular properties. Camiletti GG; Machado SF; Jorge FE J Comput Chem; 2008 Nov; 29(14):2434-44. PubMed ID: 18612996 [TBL] [Abstract][Full Text] [Related]
20. Nuclear-magnetic-resonance shielding constants calculated by pseudospectral methods. Cao Y; Beachy MD; Braden DA; Morrill L; Ringnalda MN; Friesner RA J Chem Phys; 2005 Jun; 122(22):224116. PubMed ID: 15974660 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]