Predictive Automated Combustion Chemistry: from Molecule to Rate Coefficients using KinBot.
Conference
·
OSTI ID:1806539
Abstract not provided.
- Research Organization:
- Sandia National Laboratories (SNL-CA), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1806539
- Report Number(s):
- SAND2018-7766C; 665856
- Country of Publication:
- United States
- Language:
- English
Similar Records
KinBot: Automated stationary point localization on potential energy surfaces.
Combinatorial reaction searches on the PES using KinBot.
Autoignition chemistry of oxygenated molecules: Linking biofuel development with combustion.
Conference
·
Sun Jul 01 00:00:00 EDT 2018
·
OSTI ID:1806540
Combinatorial reaction searches on the PES using KinBot.
Conference
·
Thu Aug 01 00:00:00 EDT 2019
·
OSTI ID:1641697
Autoignition chemistry of oxygenated molecules: Linking biofuel development with combustion.
Conference
·
Tue Dec 31 23:00:00 EST 2013
·
OSTI ID:1126948