Natural Bond Orbital (NBO) Computational Chemistry Project
The Natural Bond Orbital (NBO) computer program, developed at UW-Madison, is used internationally in chemistry teaching and research. The NBO Program is used for analyzing the results of high-level "first principles" quantum chemistry calculations (now ubiquitous in chemical, biological, and pharmaceutical research) and expressing them in the familiar language of chemical bonding principles. NBOs thereby provide the interface between research-level computations and the valency concepts of the chemistry classroom.
Outcomes
The NBO project generates direct income (in the $40,000 annual range) from sales and licensing of the NBO program. It also provides free departmental or campuswide licensing (valued in the $20,000 range) for leading software packages such as Gaussian, Jaguar and ADF. The project also supports widespread adoption of NBO-based textbook and program technology in classrooms and computational laboratories around the world.
Focus Areas
Project Leader
Frank Weinhold
Emeritus Professor
- Department/Unit
- Chemistry
- School or College
- College of Letters & Science