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Items: 10

1.

ACPYPE - AnteChamber PYthon Parser interfacE.

Sousa da Silva AW, Vranken WF.

BMC Res Notes. 2012 Jul 23;5:367. doi: 10.1186/1756-0500-5-367.

2.

Observation of long-range exciton diffusion in highly ordered organic semiconductors.

Najafov H, Lee B, Zhou Q, Feldman LC, Podzorov V.

Nat Mater. 2010 Nov;9(11):938-43. doi: 10.1038/nmat2872. Epub 2010 Oct 10.

PMID:
20935655
3.

Investigating the structural basis of arylamides to improve potency against M. tuberculosis strain through molecular dynamics simulations.

Punkvang A, Saparpakorn P, Hannongbua S, Wolschann P, Beyer A, Pungpo P.

Eur J Med Chem. 2010 Dec;45(12):5585-93. doi: 10.1016/j.ejmech.2010.09.008. Epub 2010 Sep 17.

PMID:
20888672
4.

Charge transport in organic crystals: role of disorder and topological connectivity.

Vehoff T, Baumeier B, Troisi A, Andrienko D.

J Am Chem Soc. 2010 Aug 25;132(33):11702-8. doi: 10.1021/ja104380c.

PMID:
20666495
5.

Molecular understanding of organic solar cells: the challenges.

Brédas JL, Norton JE, Cornil J, Coropceanu V.

Acc Chem Res. 2009 Nov 17;42(11):1691-9. doi: 10.1021/ar900099h.

PMID:
19653630
6.

Molecular bulk heterojunctions: an emerging approach to organic solar cells.

Roncali J.

Acc Chem Res. 2009 Nov 17;42(11):1719-30. doi: 10.1021/ar900041b.

PMID:
19580313
7.

Simulating charge transport in tris(8-hydroxyquinoline) aluminium (Alq(3)).

Kwiatkowski JJ, Nelson J, Li H, Bredas JL, Wenzel W, Lennartz C.

Phys Chem Chem Phys. 2008 Apr 14;10(14):1852-8. doi: 10.1039/b719592c. Epub 2008 Mar 6.

PMID:
18368176
8.
9.

Development and testing of a general amber force field.

Wang J, Wolf RM, Caldwell JW, Kollman PA, Case DA.

J Comput Chem. 2004 Jul 15;25(9):1157-74. Erratum in: J Comput Chem. 2005 Jan 15;26(1):114.

PMID:
15116359
10.

3,4:9,10-Perylenetetracarboxylic dianhydride (PTCDA) by electron crystallography.

Ogawa T, Kuwamoto K, Isoda S, Kobayashi T, Karl N.

Acta Crystallogr B. 1999 Feb 1;55(Pt 1):123-130.

PMID:
10927346
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