Related references
Note: Only part of the references are listed.High pressure study of n-propylbenzene oxidation
Soumya Gudiyella et al.
COMBUSTION AND FLAME (2012)
How to Conceptualize Catalytic Cycles? The Energetic Span Model
Sebastian Kozuch et al.
ACCOUNTS OF CHEMICAL RESEARCH (2011)
Comparative study on the growth mechanisms of PAHs
Bikau Shukla et al.
COMBUSTION AND FLAME (2011)
High pressure study of m-xylene oxidation
S. Gudiyella et al.
COMBUSTION AND FLAME (2011)
Products and Mechanism of Acene Dimerization. A Computational Study
Sanjio S. Zade et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Photogeneration of Octacene and Nonacene
Christina Toenshoff et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Formation mechanism of polycyclic aromatic hydrocarbons in benzene combustion: Quantum chemical molecular dynamics simulations
Biswajit Saha et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Exploring the Role of PAHs in the Formation of Soot: Pyrene Dimerization
Hassan Sabbah et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Alternating Covalent Bonding Interactions in a One-Dimensional Chain of a Phenalenyl-Based Singlet Biradical Molecule Having Kekule Structures
Akihiro Shimizu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Role of Methyl Radicals in the Growth of PAHs
Bikau Shukla et al.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2010)
A highly efficient growth mechanism of polycyclic aromatic hydrocarbons
Bikau Shukla et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Quantum Chemical Molecular Dynamics Simulations of Dynamic Fullerene Self-Assembly in Benzene Combustion
Biswajit Saha et al.
ACS NANO (2009)
FORMATION OF POLYCYCLIC AROMATIC HYDROCARBONS AND CARBONACEOUS SOLIDS IN GAS-PHASE CONDENSATION EXPERIMENTS
C. Jaeger et al.
ASTROPHYSICAL JOURNAL (2009)
Characterization of circumstellar carbonaceous dust analogues produced by pyrolysis of acetylene in a porous graphite reactor
Ludovic Biennier et al.
CARBON (2009)
Towards a detailed soot model for internal combustion engines
Sebastian Mosbach et al.
COMBUSTION AND FLAME (2009)
Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: Application to polycyclic aromatic hydrocarbon clusters
Mathias Rapacioli et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Comparative Analysis of the Multicenter, Long Bond in [TCNE]•- and Phenalenyl Radical Dimers: A Unified Description of Multicenter, Long Bonds
Fernando Mota et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
The larger acenes: Versatile organic semiconductors
John E. Anthony
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Experimental study of catalyst nanoparticle and single walled carbon nanotube formation in a controlled premixed combustion
John Z. Wen et al.
JOURNAL OF MATERIALS CHEMISTRY (2008)
Role of phenyl radicals in the growth of polycyclic aromatic hydrocarbons
Man Shukla et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
The radical character of the acenes:: A density matrix renormalization group study
Johannes Hachmann et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
In situ direct sampling mass spectrometric study on formation of polycyclic aromatic hydrocarbons in toluene pyrolysis
Bikau Shukla et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
On the mechanism of peripentacene formation from pentacene: Computational studies of a prototype for graphene formation from smaller acenes
Brian H. Northrop et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emission
Young Min Rhee et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Singlet biradical character of phenalenyl-based Kekule hydrocarbon with naphthoquinoid structure
Takashi Kubo et al.
ORGANIC LETTERS (2007)
Bulk and surface structural investigations of diesel engine soot and carbon black
J.-O. Mueller et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Identification and spectral properties of polycyclic aromatic hydrocarbons in Carbonaceous soot produced by laser pyrolysis
C. Jaeger et al.
ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES (2006)
Hybrid density functional theory for π-stacking interactions:: Application to benzenes, pyridines, and DNA bases
MP Waller et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Diels-Alder reaction of acenes with singlet and triplet oxygen theoretical study of two-state reactivity
AR Reddy et al.
CHEMICAL COMMUNICATIONS (2006)
The importance of inter- and intramolecular van der Waals interactions in organic reactions: the dimerization of anthracene revisited
S Grimme et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
The relative roles of acetylene and aromatic precursors during soot particle inception
A Violi et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2005)
Experimental study of industrial scale fullerene production by combustion synthesis
H Takehara et al.
CARBON (2005)
Oligoacenes: Theoretical prediction of open-shell singlet diradical ground states
M Bendikov et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Reaction pathways for growth of polycyclic aromatic hydrocarbons under combustion conditions, a DFT study
BV Unterreiner et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Tetrathiafulvalenes, oligoacenenes, and their buckminsterfullerene derivatives: The brick and mortar of organic electronics
M Bendikov et al.
CHEMICAL REVIEWS (2004)
Fullerene-acene chemistry:: Single-crystal X-ray structures for a [60]fullerene-pentacene monoadduct and a cis-bis[60]fullerene adduct of 6,13-diphenylpentacene
GP Miller et al.
ORGANIC LETTERS (2003)
Fullerene-acene chemistry:: Diastereoselective synthesis of a cis,cis-tris[60]fullerene adduct of 6,8,15,17-tetraphenylheptacene
GP Miller et al.
ORGANIC LETTERS (2003)
Nucleation of soot: Molecular dynamics simulations of pyrene dimerization
CA Schuetz et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2002)
Combustion synthesis of fullerenes and fullerenic nanostructures
A Goel et al.
CARBON (2002)
Consideration of reaction mechanisms leading to pyrolytic carbon of different textures
GL Dong et al.
CARBON (2002)
Reaction mechanism of soot formation in flames
M Frenklach
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
The acenes: Is there a relationship between aromatic stabilization and reactivity?
PV Schleyer et al.
ORGANIC LETTERS (2001)
Fullerene evolution in flame-generated soot
PTA Reilly et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Robust and variational fitting: Removing the four-center integrals from center stage in quantum chemistry
BI Dunlap
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2000)
Direct observation of the evolution of the soot carbonization process in an acetylene diffusion flame via real-time aerosol mass spectrometry
PTA Reilly et al.
COMBUSTION AND FLAME (2000)
Kinetic modeling of soot formation with detailed chemistry and physics:: Laminar premixed flames of C2 hydrocarbons
J Appel et al.
COMBUSTION AND FLAME (2000)
Formation mechanism for polycyclic aromatic hydrocarbons in methane flames
K Siegmann et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Share Paper
