Multiscale Modelling of Cooperativity in Complex Molecular Systems (B12#)

• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: from 2010 to 2013
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 104405829

Investigating cooperative effects across a wide range ofcomplex molecular systems is a significant undertaking. This proposedresearch program will naturally begin with the careful acquisition of a set ofaccurate structures that exhibit cooperative effects. In the next phase, asystematic and thorough investigation of their intrinsic properties will ensue. Inthis manner, investigating cooperative effects within complex molecularsystems is envisaged.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 858: Synergetic Effects in Chemistry - From Additivity towards Cooperativity
• Applicant Institution: Universität Münster
• Project Head: Professor Dr. Mark P. Waller