234 results on '"Frenklach, M."'
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2. Isomer Energy Differences for the C4H3 and C4H5 Isomers Using Diffusion Monte Carlo
3. Geometry optimization in quantum Monte Carlo with solution mapping: Application to formaldehyde
4. Rate coefficients and product branching ratios for the oxidation of phenyl and naphthyl radicals: A theoretical RRKM-ME study
5. Numerical Modeling of Surface Reactions
6. Rate Constants of the Dimerization of PAH Molecules: A Theoretical Study
7. Aceanthracene-anthracene dimerization with the formation of an E-bridge bond
8. Rate constants for the formation of the vinylidene bridge bond between naphthalene and acenaphthalene: A theoretical study
9. OH(OD) + CO: measurements and an optimized RRKM fit
10. Cyclic deposition of diamond: experimental testing of model predictions
11. Uncertainty Quantification in Chemical Modeling
12. Soot formation in shock-tube pyrolysis and oxidation of vinylacetylene
13. Multiscale modeling catalytic decomposition of hydrocarbons during carbon nanotube growth
14. Development of an Uncertainty Quantification Predictive Chemical Reaction Model for Syngas Combustion
15. Rate constants for H abstraction from benzo(a)pyrene and chrysene: a theoretical study
16. Homogeneous nucleation of diamond powder in the gas phase.
17. Molecular dynamics with combined quantum and empirical potentials: C2H2 adsorption on Si(100).
18. Synthesis of diamond powder in acetylene oxygen plasma.
19. Time Integration of Reacting Flows using Adaptive CSP Tabulation
20. Modeling of Large Reaction Systems
21. Vapor Deposition of Crystalline Diamond
22. ChemInform Abstract: Theory and Models for Nucleation and Growth of Diamond Films
23. ChemInform Abstract: Enthalpies of Formation of Benzenoid Aromatic Molecules and Radicals
24. ChemInform Abstract: Chemical Reaction Mechanisms of Diamond Growth
25. Atomic Resolution Imaging and Spectroscopy of Graphene Using the TEAM 0.5
26. Silicon carbide and the origin of interstellar carbon grains
27. Shock-tube pyrolysis of chlorinated hydrocarbons - Formation of soot
28. Empirical modeling of soot formation in shock-tube pyrolysis of aromatic hydrocarbons
29. Shock-tube pyrolysis of acetylene - Sensitivity analysis of the reaction mechanism for soot formation
30. Systematic development of reduced reaction mechanisms for dynamic modeling
31. Shock tube study of the fuel structure effects on the chemical kinetic mechanisms responsible for soot formation, part 2
32. Systematic optimization of a detailed kinetic model using a methane ignition example
33. Transferring data oscilloscope to an IBM using an Apple II+
34. Shock tube study of the fuel structure effects on the chemical kinetic mechanisms responsible for soot formation
35. Soot formation in pyrolysis of acetylene, allene and 1,3-butadiene
36. Adaptive chemistry computations of reacting flow
37. A CSP and tabulation-based adaptive chemistry model
38. Quantum monte carlo study of heats of formation and bond dissociation energies of small hydrocarbons
39. Adaptive chemical model reduction
40. Formation of the First Aromatic Ring
41. Prediction uncertainty from models and data
42. A collaborative informatics infrastructure for multi-scale science.
43. Soot formation from polycyclic aromatics. Technical progress report, September 1, 1980-February 28, 1981
44. Determination of Rate Coefficients for Reactions of Formaldehyde Pyrolysis and Oxidation in the Gas Phase
45. Simulation of surface reactions
46. Chemical Kinetics of Methyl Oxidation by Molecular Oxygen
47. Dimer-row pattern formation in diamond (100) growth
48. A Theoretical Study Of The Energetics And Vibrational Spectra Of Oxygenated (100) Diamond Surfaces
49. The oxidation of methane at elevated pressures: Experiments and modeling
50. Reexamination of Shock-Tube Measurements of the Rate Coefficient of H + O2 .fwdarw. OH + O
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