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。The role of molecular properties on the dimerization of aromatic compounds
Paolo Elvati et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2019)
On the early stages of soot formation: Molecular structure elucidation by high-resolution atomic force microscopy
Mario Commodo et al.
COMBUSTION AND FLAME (2019)
Reactivity of Polycyclic Aromatic Hydrocarbon Soot Precursors: Implications of Localized π-Radicals on Rim-Based Pentagonal Rings
Jacob W. Martin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Homo-dimerization of oxygenated polycyclic aromatic hydrocarbons under flame conditions
P. Elvati et al.
FUEL (2018)
Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth
K. O. Johansson et al.
SCIENCE (2018)
Dimerization of Polycyclic Aromatic Hydrocarbon Molecules and Radicals under Flame Conditions
Qian Mao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms
Dingyu Hou et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Comparative study of the soot formation process in a nucleation and a sooting low pressure premixed methane flame
Pascale Desgroux et al.
COMBUSTION AND FLAME (2017)
Critical Assessment of Photoionization Efficiency Measurements for Characterization of Soot-Precursor Species
K. Olof Johansson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
Investigating repetitive reaction pathways for the formation of polycyclic aromatic hydrocarbons in combustion processes
Nils Hansen et al.
COMBUSTION AND FLAME (2017)
PAH structure analysis of soot in a non-premixed flame using high-resolution transmission electron microscopy and optical band gap analysis
Maria L. Botero et al.
COMBUSTION AND FLAME (2016)
How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?
Narbe Mardirossian et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Hydrogen Abstraction/Acetylene Addition Revealed
Dorian S. N. Parker et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)
Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters
James J. P. Stewart
JOURNAL OF MOLECULAR MODELING (2013)
Bounding the role of black carbon in the climate system: A scientific assessment
T. C. Bond et al.
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES (2013)
A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures
Tim S. Totton et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Peri-condensed aromatics with aliphatic chains as key intermediates for the nucleation of aromatic hydrocarbons
Seung-Hyun Chung et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2011)
Formation of nascent soot and other condensed-phase materials in flames
Hai Wang
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2011)
Detailed Kinetic Monte Carlo Simulations of Graphene-Edge Growth
Russell Whitesides et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
Massimiliano Bonomi et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
Graphene layer growth chemistry: Five- and six-member ring flip reaction
Russell Whitesides et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
20th-century industrial black carbon emissions altered arctic climate forcing
Joseph R. McConnell et al.
SCIENCE (2007)
Cyclodehydrogenation reactions to cyclopentafused polycyclic aromatic hydrocarbons
A Violi
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Kinetic Monte Carlo molecular dynamics approach to model soot inception
A Violi et al.
COMBUSTION SCIENCE AND TECHNOLOGY (2004)
A fully, integrated kinetic Monte Carlo/molecular dynamics approach for the simulation of soot precursor growth
A Violi et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2002)
Reaction mechanism of soot formation in flames
M Frenklach
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides
GA Kaminski et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)