Advances in predictive chemistry enable a multi-scale rational design approach for biofuels with advantaged properties
Abstract
Process of building predictive gas-phase chemical mechanisms faster and less computationally intensive using state of the art automated chemical tools and linking the predicted chemical reactivity to underlying chemical structure information.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2022
- Source ID
- 10.1039/d2se00773h
Entities
People
- Katherine S. Lockwood
- Nabila A. Huq
- Nicole J. Labbe
- Sadie C. Stutzman
- Sheikh F. Ahmed
- Thomas D Foust
Organizations
- Bioenergy Technologies Office
- Colorado State University
- National Science Foundation
- Office of Energy Efficiency and Renewable Energy
- United States Department of Defense
- University of Colorado Boulder
- Vehicle Technologies Office