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.
2. Single molecule conductivity: the role of junction-orbital degeneracy in the artificially high currents predicted by ab initio approaches. Solomon GC; Reimers JR; Hush NS J Chem Phys; 2004 Oct; 121(14):6615-27. PubMed ID: 15473716 [TBL] [Abstract][Full Text] [Related]
3. Electron tunneling through molecular media: a density functional study of Au/Dithiol/Au systems. Sun Q; Selloni A; Scoles G Chemphyschem; 2005 Sep; 6(9):1906-10. PubMed ID: 16075433 [TBL] [Abstract][Full Text] [Related]
4. Ab initio calculations of structural evolution and conductance of benzene-1,4-dithiol on gold leads. Pontes RB; Rocha AR; Sanvito S; Fazzio A; da Silva AJ ACS Nano; 2011 Feb; 5(2):795-804. PubMed ID: 21226481 [TBL] [Abstract][Full Text] [Related]
5. Nonequilibrium electronic transport of 4,4'-bipyridine molecular junction. Wu X; Li Q; Huang J; Yang J J Chem Phys; 2005 Nov; 123(18):184712. PubMed ID: 16292926 [TBL] [Abstract][Full Text] [Related]
6. Electron transport in a pi-stacking molecular chain. Geng WT; Oda M; Nara J; Kondo H; Ohno T J Phys Chem B; 2008 Mar; 112(10):2795-800. PubMed ID: 18278896 [TBL] [Abstract][Full Text] [Related]
7. Molecular binding at gold transport interfaces. III. Field dependence of electronic properties. Basch H; Ratner MA J Chem Phys; 2004 Mar; 120(12):5761-70. PubMed ID: 15267455 [TBL] [Abstract][Full Text] [Related]
8. Measurements of single-molecule electromechanical properties. Xu B; Xiao X; Tao NJ J Am Chem Soc; 2003 Dec; 125(52):16164-5. PubMed ID: 14692738 [TBL] [Abstract][Full Text] [Related]
9. Theoretical investigation of electronic structures and properties of C60-gold nanocontacts. Shukla MK; Dubey M; Leszczynski J ACS Nano; 2008 Feb; 2(2):227-34. PubMed ID: 19206622 [TBL] [Abstract][Full Text] [Related]
10. Electronic structure of copper phthalocyanine: an experimental and theoretical study of occupied and unoccupied levels. Evangelista F; Carravetta V; Stefani G; Jansik B; Alagia M; Stranges S; Ruocco A J Chem Phys; 2007 Mar; 126(12):124709. PubMed ID: 17411154 [TBL] [Abstract][Full Text] [Related]
11. Probing charge transport of ruthenium-complex-based molecular wires at the single-molecule level. Liu K; Wang X; Wang F ACS Nano; 2008 Nov; 2(11):2315-23. PubMed ID: 19206398 [TBL] [Abstract][Full Text] [Related]
12. Correlation between HOMO alignment and contact resistance in molecular junctions: aromatic thiols versus aromatic isocyanides. Kim B; Beebe JM; Jun Y; Zhu XY; Frisbie CD J Am Chem Soc; 2006 Apr; 128(15):4970-1. PubMed ID: 16608328 [TBL] [Abstract][Full Text] [Related]
13. Tailoring the photoluminescence properties of ionic iridium complexes. Terki R; Simoneau LP; Rochefort A J Phys Chem A; 2009 Jan; 113(3):534-41. PubMed ID: 19117414 [TBL] [Abstract][Full Text] [Related]
14. Low-bias conductance of single benzene molecules contacted by direct Au-C and Pt-C bonds. Ma G; Shen X; Sun L; Zhang R; Wei P; Sanvito S; Hou S Nanotechnology; 2010 Dec; 21(49):495202. PubMed ID: 21079288 [TBL] [Abstract][Full Text] [Related]
15. Single molecule electron transport junctions: charging and geometric effects on conductance. Andrews DQ; Cohen R; Van Duyne RP; Ratner MA J Chem Phys; 2006 Nov; 125(17):174718. PubMed ID: 17100472 [TBL] [Abstract][Full Text] [Related]
16. Size- and shape-dependent polarizabilities of sandwich and rice-ball Co(n)Bz(m) clusters from density functional theory. Wang J; Zhu L; Zhang X; Yang M J Phys Chem A; 2008 Sep; 112(36):8226-30. PubMed ID: 18700735 [TBL] [Abstract][Full Text] [Related]
17. Contact atomic structure and electron transport through molecules. Ke SH; Baranger HU; Yang W J Chem Phys; 2005 Feb; 122(7):074704. PubMed ID: 15743262 [TBL] [Abstract][Full Text] [Related]
18. Quantum chemical analysis of electronic structure and n- and p-type charge transport in perfluoroarene-modified oligothiophene semiconductors. Koh SE; Delley B; Medvedeva JE; Facchetti A; Freeman AJ; Marks TJ; Ratner MA J Phys Chem B; 2006 Dec; 110(48):24361-70. PubMed ID: 17134188 [TBL] [Abstract][Full Text] [Related]
19. Breaking mechanism of single molecular junctions formed by octanedithiol molecules and Au electrodes. Qi Y; Qin J; Zhang G; Zhang T J Am Chem Soc; 2009 Nov; 131(45):16418-22. PubMed ID: 19902977 [TBL] [Abstract][Full Text] [Related]