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Items: 1 to 20 of 131

1.

Pressure-dependent structural and electronic properties of quasi-one-dimensional (TMTTF)2PF6.

Rose E, Loose C, Kortus J, Pashkin A, Kuntscher CA, Ebbinghaus SG, Hanfland M, Lissner F, Schleid T, Dressel M.

J Phys Condens Matter. 2013 Jan 9;25(1):014006. doi: 10.1088/0953-8984/25/1/014006.

PMID:
23221131
2.

Near-Edge X-ray Absorption Fine Structure Investigation of the Quasi-One-Dimensional Organic Conductor (TMTSF)2PF6.

Medjanik K, Chernenkaya A, Kozina X, Nepijko SA, Öhrwall G, Foury-Leylekian P, Alemany P, Schönhense G, Canadell E, Pouget JP.

J Phys Chem A. 2016 Nov 3;120(43):8574-8583.

PMID:
27704836
3.

Graphene nanoribbon electrical decoupling from metallic substrates.

Borriello I, Cantele G, Ninno D.

Nanoscale. 2013 Jan 7;5(1):291-8. doi: 10.1039/c2nr31937c.

PMID:
23160545
4.

Frontiers of organic conductors and superconductors.

Saito G, Yoshida Y.

Top Curr Chem. 2012;312:67-126. doi: 10.1007/128_2011_224. Review.

PMID:
21952839
5.
6.

A single-component molecular metal based on a thiazole dithiolate gold complex.

Tenn N, Bellec N, Jeannin O, Piekara-Sady L, Auban-Senzier P, Iñiguez J, Canadell E, Lorcy D.

J Am Chem Soc. 2009 Nov 25;131(46):16961-7. doi: 10.1021/ja907426s.

PMID:
19873973
7.

Electronic structure study using density functional theory in organic dendrimers.

Gutiérrez-Pérez RM, Flores-Holguín N, Glossmann-Mitnik D, Rodriguez-Valdez LM.

J Mol Model. 2011 Aug;17(8):1963-72. doi: 10.1007/s00894-010-0894-2.

PMID:
21120557
8.

The high-pressure electronic structure of the [Ni(ptdt)2] organic molecular conductor.

Tulip PR, Bates SP, Clark SJ.

J Chem Phys. 2012 Jul 14;137(2):024701. doi: 10.1063/1.4731692.

PMID:
22803552
9.

Molecular Kondo chain.

Dilullo A, Chang SH, Baadji N, Clark K, Klöckner JP, Prosenc MH, Sanvito S, Wiesendanger R, Hoffmann G, Hla SW.

Nano Lett. 2012 Jun 13;12(6):3174-9. doi: 10.1021/nl301149d.

PMID:
22563893
10.

Modelling energy level alignment at organic interfaces and density functional theory.

Flores F, Ortega J, Vázquez H.

Phys Chem Chem Phys. 2009 Oct 21;11(39):8658-75. doi: 10.1039/b902492c. Review.

PMID:
20449007
11.

Interacting quasi-two-dimensional sheets of interlinked carbon nanotubes: a high-pressure phase of carbon.

Saxena S, Tyson TA.

ACS Nano. 2010 Jun 22;4(6):3515-21. doi: 10.1021/nn100626z.

PMID:
20446666
12.

Functional group dependent dissociative electron attachment to simple organic molecules.

Prabhudesai VS, Nandi D, Kelkar AH, Krishnakumar E.

J Chem Phys. 2008 Apr 21;128(15):154309. doi: 10.1063/1.2899330.

PMID:
18433211
13.

Interaction of thioether groups at the open coordination sites of palladium(II) and platinum(II) complexes probed by luminescence spectroscopy at variable pressure.

Pierce E, Lanthier E, Genre C, Chumakov Y, Luneau D, Reber C.

Inorg Chem. 2010 Jun 7;49(11):4901-8. doi: 10.1021/ic9024958.

PMID:
20459105
14.

Effects of side-chain and electron exchange correlation on the band structure of perylene diimide liquid crystals: a density functional study.

Arantes JT, Lima MP, Fazzio A, Xiang H, Wei SH, Dalpian GM.

J Phys Chem B. 2009 Apr 23;113(16):5376-80. doi: 10.1021/jp8101018.

PMID:
19368408
15.

Structural transitions from triangular to square molecular arrangements in the quasi-one-dimensional molecular conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb).

Shirahata T, Shiratori K, Kumeta S, Kawamoto T, Ishikawa T, Koshihara SY, Nakano Y, Yamochi H, Misaki Y, Mori T.

J Am Chem Soc. 2012 Aug 15;134(32):13330-40. doi: 10.1021/ja303435n.

PMID:
22812374
16.

Probing the metal-insulator phase transition in the (DMEDO-EBDT)2PF6 single crystal by optical measurements.

Ishikawa T, Kitayama M, Chono A, Onda K, Okimoto Y, Koshihara S, Nakano Y, Yamochi H, Morikawa T, Shirahata T, Misaki Y.

J Phys Condens Matter. 2012 May 16;24(19):195501. doi: 10.1088/0953-8984/24/19/195501.

PMID:
22498453
17.

Modelling charge transport in organic semiconductors: from quantum dynamics to soft matter.

Cheung DL, Troisi A.

Phys Chem Chem Phys. 2008 Oct 21;10(39):5941-52. doi: 10.1039/b807750a.

PMID:
18825280
18.

New organic noble gas molecules: energetics, stability and potential energy surfaces of HCCXeCCH and HCCKrCCH.

Ansbacher T, Gerber RB.

Phys Chem Chem Phys. 2006 Sep 28;8(36):4175-81.

PMID:
16971985
19.

Optical nonlinearities of hybrid pairs of organic molecules.

Agranovich VM, La Rocca GC.

J Phys Condens Matter. 2013 Oct 16;25(41):415303. doi: 10.1088/0953-8984/25/41/415303.

PMID:
24060821
20.

Estimation of boiling points using density functional theory with polarized continuum model solvent corrections.

Chan PY, Tong CM, Durrant MC.

J Mol Graph Model. 2011 Sep;30:120-8. doi: 10.1016/j.jmgm.2011.06.010.

PMID:
21798775
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