New compounds with tailor-made properties

Since calculations can reliably predict many of the properties of thiophene-containing materials, they are very useful in the design of experiments. Nowadays, systems with about 250 non-hydrogen atoms 

We thank Ms. Natalia Zamoshchik (Weizmann Institute) for her assistance. M.B. thanks the Israel Science Foundation and S.S.Z. thanks DST, India, for financial support. M.B. is the incumbent of the Recanati career development chair and a member ad personam of the Lise Meitner-Minerva Center for Computational Quantum Chemistry and acknowledges support from a DuPont Young Professor Award. 

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