The role of disorder on the electronic structure of conjugated polymers. The case of poly-2,5-bis(phenylethynyl)-1,3,4-thiadiazole

Density of States and Wave Function Localization in Disordered Conjugated Polymers: A Large Scale Computational Study

(2011) Nenad Vukmirović et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Novel Computational Methods for Nanostructure Electronic Structure Calculations

(2010) Lin-Wang Wang   Annual Review of Physical Chemistry

Carrier hopping in disordered semiconducting polymers: How accurate is the Miller–Abrahams model?

(2010) Nenad Vukmirović et al.   APPLIED PHYSICS LETTERS

Electron transfer between [4Fe–4S] clusters

(2010) Alexander A. Voityuk   CHEMICAL PHYSICS LETTERS

Organic Semiconductors: Impact of Disorder at Different Timescales

(2010) David P. McMahon et al.   CHEMPHYSCHEM

Density functional theory study of the optical and electronic properties of oligomers based on phenyl-ethynyl units linked to triazole, thiadiazole, and oxadiazole rings to be used in molecular electronics

(2010) Andrés Garzón et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical study of the effect of ethynyl group on the structure and electrical properties of phenyl-thiadiazole systems as precursors of electron-conducting materials

(2009) José M. Granadino-Roldán et al.   JOURNAL OF CHEMICAL PHYSICS

Charge Carrier Motion in Disordered Conjugated Polymers: A Multiscale Ab Initio Study

(2009) Nenad Vukmirović et al.   NANO LETTERS

Charge patching method for electronic structure of organic systems

(2008) Nenad Vukmirović et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Structure of Disordered Conjugated Polymers: Polythiophenes

(2008) Nenad Vukmirović et al.   JOURNAL OF PHYSICAL CHEMISTRY B