화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 PBC-DFT Applied to Donor-Acceptor Copolymers in Organic Solar Cells: Comparisons between Theoretical Methods and Experimental Data
Pappenfus TM, Schmidt JA, Koehn RE, Alia JD
Macromolecules, 44(7), 2354, 2011
2 Prediction of molecular properties including symmetry from quantum-based molecular structural formulas, VIF
Alia JD, Vlaisavljevich B, Abbot M, Warneke H, Mastin T
Journal of Physical Chemistry A, 112(40), 9784, 2008
3 Molecular structural formulas as one-electron density and hamiltonian operators: The VIF method extended
Alia JD
Journal of Physical Chemistry A, 111(12), 2307, 2007