A discussion of recent developments in all aspects of computational chemistry.Soc, 1996, 118, 8623. 2 All calculations were carried out using the Jaguar 4.2 program package (Schrodinger, Inc.. Portland. OR. USA, 2001). The molybdenum atoms were described by the Jaguar LACV3P basis set, which uses the standardanbsp;...
|Title||:||Quantum Inorganic Chemistry|
|Publisher||:||Royal Society of Chemistry - 2003|