Combining theory and experiment, researchers have solved a long-standing problem by confirming the effects of -electron delocalization on 1,3-butadiene bond lengths. Organic chemistry texts use ...

Under the coordination of the Foreign Ministry of China, 180 Chinese overseas students arrive at Shanghai Pudong International Airport on China Eastern Airlines' flight MU590 from San Francisco on ...

In 1998 scientists Richard Bader and Carlo Gatti proposed a mathematical model, describing the distribution of delocalized electrons in molecules. Now new research is the first to confirm the accuracy ...

Kohn-Sham density functional theory has been one of the most successful theories applied to chemistry. It is formally rigorous; its relatively low computational cost plus its competitive accuracy in ...