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.
251 related articles for article (PubMed ID: 19045873)
1. A single molecule rectifier with strong push-pull coupling. Saraiva-Souza A; Macedo de Souza F; Aleixo VF; Girão EC; Filho JM; Meunier V; Sumpter BG; Souza Filho AG; Del Nero J J Chem Phys; 2008 Nov; 129(20):204701. PubMed ID: 19045873 [TBL] [Abstract][Full Text] [Related]
2. Ab initio electron propagators in molecules with strong electron-phonon interaction: II. Electron Green's function. Dahnovsky Y J Chem Phys; 2007 Jul; 127(1):014104. PubMed ID: 17627334 [TBL] [Abstract][Full Text] [Related]
3. Electronic state of push-pull alkenes: an experimental dynamic NMR and theoretical ab initio MO study. Kleinpeter E; Klod S; Rudorf WD J Org Chem; 2004 Jun; 69(13):4317-29. PubMed ID: 15202885 [TBL] [Abstract][Full Text] [Related]
4. A theoretical study of molecular conduction. III. A nonequilibrium-Green's-function-based Hartree-Fock approach. Shimazaki T; Xue Y; Ratner MA; Yamashita K J Chem Phys; 2006 Mar; 124(11):114708. PubMed ID: 16555911 [TBL] [Abstract][Full Text] [Related]
5. Role of molecular orbitals of the benzene in electronic nanodevices. Choi YC; Kim WY; Park KS; Tarakeshwar P; Kim KS; Kim TS; Lee JY J Chem Phys; 2005 Mar; 122(9):094706. PubMed ID: 15836161 [TBL] [Abstract][Full Text] [Related]
6. Electronic transportation through asymmetrically substituted oligo(phenylene ethynylene)s: studied by first principles nonequilibrium Green's function formalism. Yin X; Liu H; Zhao J J Chem Phys; 2006 Sep; 125(9):094711. PubMed ID: 16965109 [TBL] [Abstract][Full Text] [Related]
7. Ab initio study of single-molecule rotation switch based on nonequilibrium Green's function theory. Liang YY; Jiang F; Zhou YX; Chen H; Note R; Mizuseki H; Kawazoe Y J Chem Phys; 2007 Aug; 127(8):084107. PubMed ID: 17764229 [TBL] [Abstract][Full Text] [Related]
9. Conduction mechanism of Aviram-Ratner rectifiers with single pyridine-sigma-C(60) oligomers. Wang B; Zhou Y; Ding X; Wang K; Wang X; Yang J; Hou JG J Phys Chem B; 2006 Dec; 110(48):24505-12. PubMed ID: 17134209 [TBL] [Abstract][Full Text] [Related]
10. An efficient molecular orbital approach for self-consistent calculations of molecular junctions. Nakamura H; Yamashita K J Chem Phys; 2006 Nov; 125(19):194106. PubMed ID: 17129088 [TBL] [Abstract][Full Text] [Related]
11. 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]
12. Push-pull macrocycles: donor-acceptor compounds with paired linearly conjugated or cross-conjugated pathways. Leu WC; Fritz AE; Digianantonio KM; Hartley CS J Org Chem; 2012 Mar; 77(5):2285-98. PubMed ID: 22300291 [TBL] [Abstract][Full Text] [Related]
13. Ab initio investigations of the electric field dependence of the geometric and electronic structures of molecular wires. Li Y; Zhao J; Yin X; Yin G J Phys Chem A; 2006 Sep; 110(38):11130-5. PubMed ID: 16986847 [TBL] [Abstract][Full Text] [Related]
14. Calculating molecular Rydberg states using the one-particle Green's function: application to HCO and C(NH2)3. Feuerbacher S; Santra R J Chem Phys; 2005 Nov; 123(19):194310. PubMed ID: 16321091 [TBL] [Abstract][Full Text] [Related]
15. Optimization of selected molecular orbitals in group basis sets. Ferenczy GG; Adams WH J Chem Phys; 2009 Apr; 130(13):134108. PubMed ID: 19355718 [TBL] [Abstract][Full Text] [Related]
16. Charge recombination versus charge separation in donor-bridge-acceptor systems. Wiberg J; Guo L; Pettersson K; Nilsson D; Ljungdahl T; Mårtensson J; Albinsson B J Am Chem Soc; 2007 Jan; 129(1):155-63. PubMed ID: 17199294 [TBL] [Abstract][Full Text] [Related]
17. Theoretical investigation of electron transport modulation through benzenedithiol by substituent groups. Smeu M; Wolkow RA; DiLabio GA J Chem Phys; 2008 Jul; 129(3):034707. PubMed ID: 18647038 [TBL] [Abstract][Full Text] [Related]
18. Orbital interaction mechanisms of conductance enhancement and rectification by dithiocarboxylate anchoring group. Li Z; Kosov DS J Phys Chem B; 2006 Oct; 110(39):19116-20. PubMed ID: 17004758 [TBL] [Abstract][Full Text] [Related]
19. Theoretical study on the interaction between dopamine and its receptor by ab initio molecular orbital calculation. Nishihira J; Tachikawa H J Theor Biol; 1997 Mar; 185(2):157-63. PubMed ID: 9135800 [TBL] [Abstract][Full Text] [Related]
20. A theoretical study of molecular conduction. II. A Hartree-Fock approach to transmission probability. Shimazaki T; Maruyama H; Asai Y; Yamashita K J Chem Phys; 2005 Oct; 123(16):164111. PubMed ID: 16268685 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]