Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Mark Jacob Goldman"'
Autor:
Alon Grinberg Dana, Kehang Han, Emily Mazeau, Matthew S. Johnson, Richard H. West, Colin A. Grambow, Agnes Jocher, Mengjie Liu, Nathan W. Yee, Katrin Blondal, A. Mark Payne, William H. Green, Mark Jacob Goldman, C. Franklin Goldsmith
Publikováno v:
Journal of Chemical Information and Modeling. 61:2686-2696
In chemical kinetics research, kinetic models containing hundreds of species and tens of thousands of elementary reactions are commonly used to understand and predict the behavior of reactive chemical systems. Reaction Mechanism Generator (RMG) is a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::00eb6197dbb4aac677a5f32f0cbe93d7
https://doi.org/10.1021/acs.jcim.0c01480
https://doi.org/10.1021/acs.jcim.0c01480
Publikováno v:
The journal of physical chemistry. A. 125(48)
Organic peroxy radicals (RO2) are key intermediates in the oxidation of organic compounds in both combustion systems and the atmosphere. While many studies have focused on reactions of RO2 in specific applications, spanning a relatively limited range
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0e7064781597982749eb46d3ea473c22
https://pubmed.ncbi.nlm.nih.gov/34843244
https://pubmed.ncbi.nlm.nih.gov/34843244
Publikováno v:
Mark Goldman
Position-specific isotope analysis (PSIA) can aid in understanding the origins of molecules. Destructive PSIA requires a model to track isotope substitution through reaction pathways. We present a general method based on the Reaction Mechanism Genera
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2041d116d526bcc7a03ace2b357fecb5
https://doi.org/10.1016/j.chemgeo.2019.02.036
https://doi.org/10.1016/j.chemgeo.2019.02.036
Correct Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichment
Publikováno v:
The Journal of Physical Chemistry A. 123:2320-2324
Confusion over how to account for symmetry numbers when reactants are identical can cause significant errors in isotopic studies. An extraneous factor of 2 in the reaction symmetry number, as proposed in the literature, violates reaction equilibrium
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b0dc77b25f4f4e422e703238bde7f3d2
https://doi.org/10.1021/acs.jpca.8b09024
https://doi.org/10.1021/acs.jpca.8b09024
Bio-derived isobutanol has been approved as a gasoline additive in the U.S., but our understanding of its combustion chemistry still has significant uncertainties. Detailed quantum calculations could improve model accuracy leading to better estimatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::20bd6be8eaf0edbfc3ed6abc78581297
https://doi.org/10.26434/chemrxiv.12380660
https://doi.org/10.26434/chemrxiv.12380660
Autor:
Luc Vereecken, Max R. McGillen, Bernard Aumont, Abdelwahid Mellouki, Andrew R. Rickard, Joseph W. Bozzelli, Ian Barnes, Mark Jacob Goldman, Sasha Madronich, William P. L. Carter, Bénédicte Picquet-Varrault, William H. Green, Timothy J. Wallington, William R. Stockwell, John J. Orlando
Publikováno v:
International Journal of Chemical Kinetics. 50:435-469
This perspective gives our views on general aspects and future directions of gas‐phase atmospheric chemical kinetic mechanism development, emphasizing on the work needed for the sustainable development of chemically detailed mechanisms that reflect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::539729e136b2ca544a015397166ba59a
https://doi.org/10.1002/kin.21172
https://doi.org/10.1002/kin.21172
Autor:
Changjie Liu, Alexis Gilbert, Naohiro Yoshida, Christopher J. Boreham, Maxime Julien, Mark Jacob Goldman, Juske Horita, William H. Green, Keita Yamada
Publikováno v:
Chemical Geology. 541:119571
A single-step method allowing the measurement of 13C intramolecular distribution of butane isomers (n- and i-butane) from natural gas samples was developed. The method builds up on the one that has been developed for propane, using on-line pyrolysis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::780a5988fd8a37047888aaec07c6141c
https://doi.org/10.1016/j.chemgeo.2020.119571
https://doi.org/10.1016/j.chemgeo.2020.119571
Autor:
Patrick Oßwald, Mengjie Liu, Zachary J. Buras, Te-Chun Chu, Mark Jacob Goldman, William H. Green
Publikováno v:
Physical chemistry chemical physics : PCCP. 21(2)
With the rise in production of natural gas, there is increased interest in homogeneous partial oxidation (POX) to convert methane to syngas (CO + H2), ethene (C2H4) and acetylene (C2H2). In POX, polycyclic aromatic hydrocarbons (PAH) are important un
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a061e946632cc33a8ca7db3c7bab5b9
https://pubmed.ncbi.nlm.nih.gov/30556072
https://pubmed.ncbi.nlm.nih.gov/30556072
Publikováno v:
The Journal of Physical Chemistry A. 124:257-257
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e266946c6723b427b031d2a3bf9f2297
https://doi.org/10.1021/acs.jpca.9b11434
https://doi.org/10.1021/acs.jpca.9b11434