Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Development of a ReaxFF Reactive Force Field for Tetrabutylphophonium Glycinate/CO2 Mixtures

Journal Article · · J Phys Chem B
DOI:https://doi.org/10.1021/jp5054277· OSTI ID:1168041
; ;

Research Organization:
Energy Frontier Research Centers (EFRC); Fluid Interface Reactions, Structures and Transport Center (FIRST)
Sponsoring Organization:
USDOE SC Office of Basic Energy Sciences (SC-22)
OSTI ID:
1168041
Journal Information:
J Phys Chem B, Journal Name: J Phys Chem B
Country of Publication:
United States
Language:
English

Similar Records

Development of a ReaxFF Reactive Force Field for Tetrabutylphosphonium Glycinate/CO 2 Mixtures
Journal Article · Mon Oct 06 00:00:00 EDT 2014 · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry · OSTI ID:1386349
The ReaxFF reactive force-field: Development, applications, and future directions
Journal Article · Thu Mar 03 23:00:00 EST 2016 · npj Computational Materials · OSTI ID:1261375
Development of a ReaxFF Reactive Force Field for Ammonium Nitrate and Application to Shock Hugoniots.
Journal Article · Thu Jan 31 23:00:00 EST 2013 · Proposed for publication in Jounal of Physical Chemistry A. · OSTI ID:1062966

Related Subjects

catalysis (heterogeneous)
charge transport
electrodes - solar
energy storage (including batteries and capacitors)
hydrogen and fuel cells
materials and chemistry by design
mechanical behavior
solar (fuels)
synthesis (novel materials)