相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Direct dynamics of a large complex hydrocarbon reaction system: The reaction of OH with exo-tricyclodecane (the main component of Jet Propellant-10)
Junjun Wu et al.
COMBUSTION AND FLAME (2020)
The effect of ozone addition on combustion: Kinetics and dynamics
Wenting Sun et al.
PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2019)
Intersystem crossing in the exit channel
Hongwei Li et al.
NATURE CHEMISTRY (2019)
Global ab initio exploration of potential energy surfaces for radical generation in the initial stage of benzene oxidation
Hai-Bei Li et al.
RSC ADVANCES (2019)
Chemical kinetics of H-abstractions from dimethyl amine by H, CH3, OH, and HO2 radicals with multi-structural torsional anharmonicity
Yanlei Shang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Degradation of Carbonyl Hydroperoxides in the Atmosphere and in Combustion
Lili Xing et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Kinetics and branching fractions of the hydrogen abstraction reaction from methyl butenoates by H atoms
Xiaoyu Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways
John Bugler et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2017)
Plasma Assisted Low Temperature Combustion
Yiguang Ju et al.
PLASMA CHEMISTRY AND PLASMA PROCESSING (2016)
H-abstraction mechanisms in oxidation reaction of methane and hydrogen: A CASPT2 study
Jun Zhang et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2016)
Plasma assisted combustion: Effects of O3 on large scale turbulent combustion studied with laser diagnostics and Large Eddy Simulations
A. Ehn et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2015)
MSTor version 2013: A new version of the computer code for the multi-structural torsional anharmonicity, now with a coupled torsional potential
Jingjing Zheng et al.
COMPUTER PHYSICS COMMUNICATIONS (2013)
Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions
Yuri Georgievskii et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Fuel-nitrogen conversion in the combustion of small amines using dimethylamine and ethylamine as biomass-related model fuels
Arnas Lucassen et al.
COMBUSTION AND FLAME (2012)
Theoretical Study of the Reaction of Ethane with Oxygen Molecules in the Ground Triplet and Singlet Delta States
Alexander S. Sharipov et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
The ORCA program system
Frank Neese
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Atmospheric amines - Part I. A review
Xinlei Ge et al.
ATMOSPHERIC ENVIRONMENT (2011)
Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions
Ewa Papajak et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Effects of non-equilibrium plasma discharge on counterflow diffusion flame extinction
Wenting Sun et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2011)
Minimally augmented Karlsruhe basis sets
Jingjing Zheng et al.
THEORETICAL CHEMISTRY ACCOUNTS (2011)
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries
I. M. Alecu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Comparison of Some Representative Density Functional Theory and Wave Function Theory Methods for the Studies of Amino Acids
Wenbo Yu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions
Yan Zhao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions
Y Zhao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)
Effectiveness of diffuse basis functions for calculating relative energies by density functional theory
BJ Lynch et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
The C2H5+O2 reaction mechanism:: High-level ab initio characterizations
JC Rienstra-Kiracofe et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)