Shujiang Yang, Ph.D.

2007 Georgetown University, Washington, DC 
Physical Chemistry, Polymer Chemistry
"Shujiang Yang"
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Miklos Kertesz grad student 2007 Georgetown
 (From oligomers to polymers: Theoretical studies of the geometrical, electronic, and vibrational properties of conjugated systems.)
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Kertesz M, Yang S. (2009) Energetics of linear carbon chains in one-dimensional restricted environment. Physical Chemistry Chemical Physics : Pccp. 11: 425-30
Kertesz M, Yang S, Tian Y. (2009) Energy Gaps and their Control in Thiophene-Based Polymers and Oligomers Handbook of Thiophene-Based Materials: Applications in Organic Electronics and Photonics. 341-364
Yang S, Kertesz M. (2008) Linear C(n) clusters: are they acetylenic or cumulenic? The Journal of Physical Chemistry. A. 112: 146-51
Yang S, Kertesz M, Zólyomi V, et al. (2007) Application of a novel linear/exponential hybrid force field scaling scheme to the longitudinal Raman active mode of polyyne. The Journal of Physical Chemistry. A. 111: 2434-41
Yang S, Kertesz M. (2007) Theoretical design of low band gap conjugated polymers through ladders with acetylenic crosspieces Macromolecules. 40: 6740-6747
Yang S, Kertesz M. (2006) Bond length alternation and energy band gap of polyyne. The Journal of Physical Chemistry. A. 110: 9771-4
Yang S, Kertesz M. (2006) Application of the linear/exponential hybrid force field scaling scheme to the bond length alternation modes of polyacetylene Chemical Physics Letters. 432: 356-361
Kürti J, Zólyomi V, Yang S, et al. (2006) Double walled carbon nanotube with the smallest inner diameter: a first principles study Physica Status Solidi (B). 243: 3464-3467
Kertesz M, Choi CH, Yang S. (2005) Conjugated polymers and aromaticity. Chemical Reviews. 105: 3448-81
Rusznyák Á, Zólyomi V, Kürti J, et al. (2005) Bond-length alternation and charge transfer in a linear carbon chain encapsulated within a single-walled carbon nanotube Physical Review B. 72
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