a quantum chemical investigation was carried out to study the properties of intermolecular f•••f, br•••br and br•••o interactions in crystalline 1-bromo-2,3,5,6-tetrafluoro-nitrobenzene (bfnb). this system was selected to mimic the halogen-halogen as well as halogen bonding interactions found within crystal structures as well as within biological systems. we found that fluorine atoms have weak ...

Internet Electron. J. Mol. Des.2004 Abstract Motivation. Methane and carbon monoxide play important roles in atmospheric and combustion chemistry. In the atmosphere weakly bound complex will be a candidate for the green house effect due to the ability to accumulate the additional vibration energy. It is important to elucidate the intermolecular interaction between CH4 and CO. Method. The MP2 ca...