Zobrazeno 1 - 10
of 339
pro vyhledávání: '"Stephen J. Klippenstein"'
Autor:
Ahren W. Jasper, Daniel R. Moberg, Yujie Tao, Stephen J. Klippenstein, Raghu Sivaramakrishnan
Publikováno v:
Frontiers in Physics, Vol 10 (2022)
Quasiclassical trajectories (QCT) and newly constructed global potential energy surfaces are used to compute thermal and nonthermal rate constants for the H + HO2 reaction. The thermal QCTs rate constants are up to 50% smaller than transition state t
Externí odkaz:
https://doaj.org/article/317020ce94524cab86f742097a585a58
Autor:
Michael F. Vansco, Kristen Zuraski, Frank A. F. Winiberg, Kendrew Au, Nisalak Trongsiriwat, Patrick J. Walsh, David L. Osborn, Carl J. Percival, Stephen J. Klippenstein, Craig A. Taatjes, Marsha I. Lester, Rebecca L. Caravan
Publikováno v:
Molecules, Vol 26, Iss 10, p 3058 (2021)
Methacrolein oxide (MACR-oxide) is a four-carbon, resonance-stabilized Criegee intermediate produced from isoprene ozonolysis, yet its reactivity is not well understood. This study identifies the functionalized hydroperoxide species, 1-hydroperoxy-2-
Externí odkaz:
https://doaj.org/article/5e2f640e42d04a00a54f4cb34d6e410f
Publikováno v:
The Journal of Physical Chemistry A. 127:3737-3742
Autor:
Talitha M. Selby, Fabien Goulay, Satchin Soorkia, Amelia Ray, Ahren W. Jasper, Stephen J. Klippenstein, Alexander N. Morozov, Alexander M. Mebel, John D. Savee, Craig A. Taatjes, David L. Osborn
Publikováno v:
The Journal of Physical Chemistry A. 127:2577-2590
Autor:
Sarah N. Elliott, Murat Keçeli, Manik K. Ghosh, Kieran P. Somers, Henry J. Curran, Stephen J. Klippenstein
Publikováno v:
The Journal of Physical Chemistry A. 127:1512-1531
Autor:
Dmitri Babikov, Michael P. Burke, Piergiorgio Casavecchia, William H. Green, Alon Grinberg Dana, Hua Guo, Dwayne E. Heard, David Heathcote, Majdi Hochlaf, Ahren W. Jasper, Stephen J. Klippenstein, Marsha I. Lester, Carles Martí, Alexander M. Mebel, Amy S. Mullin, Thanh Lam Nguyen, Matthias Olzmann, Andrew J. Orr-Ewing, David L. Osborn, Patrick A. Robertson, Matthew S. Robinson, Robin J. Shannon, Oisin J. Shiels, Arthur G. Suits, Craig A. Taatjes, Jürgen Troe, Xuefei Xu, Xiaoqing You, Feng Zhang, Rui Ming Zhang, Judit Zádor
Publikováno v:
Faraday Discussions. 238:121-143
Autor:
Michael P. Burke, Piergiorgio Casavecchia, Carlo Cavallotti, David C. Clary, Anna Doner, William H. Green, Alon Grinberg Dana, Hua Guo, David Heathcote, Majdi Hochlaf, Stephen J. Klippenstein, Keith T. Kuwata, Joseph E. Lawrence, Upakarasamy Lourderaj, Alexander M. Mebel, Dennis Milesevic, Amy S. Mullin, Thanh Lam Nguyen, Matthias Olzmann, Andrew J. Orr-Ewing, David L. Osborn, Tobias M. Pazdera, Patrick A. Robertson, Matthew S. Robinson, Brandon Rotavera, Paul W. Seakins, Robin J. Shannon, Oisin J. Shiels, Arthur G. Suits, Adam J. Trevitt, Jürgen Troe, Claire Vallance, Oliver Welz, Feng Zhang, Judit Zádor
Publikováno v:
Faraday Discussions. 238:320-354
Autor:
Michael F. Vansco, Meijun Zou, Ivan O. Antonov, Krupa Ramasesha, Brandon Rotavera, David L. Osborn, Yuri Georgievskii, Carl J. Percival, Stephen J. Klippenstein, Craig A. Taatjes, Marsha I. Lester, Rebecca L. Caravan
Publikováno v:
The Journal of Physical Chemistry A. 126:710-719
Publikováno v:
The journal of physical chemistry. A.
The kinetics of peroxy radical (RO
Publikováno v:
The Journal of Physical Chemistry A. 125:8064-8073
Diastereomers have historically been ignored when building kinetic mechanisms for combustion. Low-temperature oxidation kinetics, which continues to gain interest in both combustion and atmospheric communities, may be affected by the inclusion of dia