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Journal of Chemical Theory and Computation
|
November 25, 2015
Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions
Ewa Papajak, Jingjing Zheng, Xuefei Xu, et al.
The Journal of Physical Chemistry. A
|
May 24, 2019
Proton Abstraction from DME <sub>n</sub>···X<sup>+</sup> by OH<sup>-</sup>, O<sub>2</sub><sup>-</sup>, and XO<sub>2</sub><sup>-</sup>, for X = Li, Na, and K: Implications for Li-O<sub>2</sub> Batteries
Charles W Bauschlicher, Ewa Papajak, Justin B Haskins, et al.
The Journal of Physical Chemistry. A
|
November 16, 2012
Biofuel combustion. Energetics and kinetics of hydrogen abstraction from carbon-1 in n-butanol by the hydroperoxyl radical calculated by coupled cluster and density functional theories and multistructural variational transition-state theory with multidimensional tunneling
I M Alecu, Jingjing Zheng, Ewa Papajak, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 13, 2011
Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: the internal-coordinate multi-structural approximation
Jingjing Zheng, Tao Yu, Ewa Papajak, et al.
The Journal of Physical Chemistry. A
|
July 22, 2016
Pressure-Dependent Competition among Reaction Pathways from First- and Second-O2 Additions in the Low-Temperature Oxidation of Tetrahydrofuran
Ivan O Antonov, Judit Zádor, Brandon Rotavera, et al.
Biochemistry
|
May 10, 2006
Mechanism of the reaction catalyzed by DL-2-haloacid dehalogenase as determined from kinetic isotope effects
Ewa Papajak, Renata A Kwiecień, Juliusz Rudziński, et al.
Science (New York, N.Y.)
|
February 7, 2015
Carbon radicals. Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH)
John D Savee, Ewa Papajak, Brandon Rotavera, et al.
Faraday Discussions
|
June 13, 2017
Products of Criegee intermediate reactions with NO<sub>2</sub>: experimental measurements and tropospheric implications
Rebecca L Caravan, M Anwar H Khan, Brandon Rotavera, et al.
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of 2
Search research articles
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Showing results (11-20 of 18) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 18 results.
Journal of Chemical Theory and Computation
|
November 25, 2015
Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions
Ewa Papajak, Jingjing Zheng, Xuefei Xu, et al.
The Journal of Physical Chemistry. A
|
May 24, 2019
Proton Abstraction from DME <sub>n</sub>···X<sup>+</sup> by OH<sup>-</sup>, O<sub>2</sub><sup>-</sup>, and XO<sub>2</sub><sup>-</sup>, for X = Li, Na, and K: Implications for Li-O<sub>2</sub> Batteries
Charles W Bauschlicher, Ewa Papajak, Justin B Haskins, et al.
The Journal of Physical Chemistry. A
|
November 16, 2012
Biofuel combustion. Energetics and kinetics of hydrogen abstraction from carbon-1 in n-butanol by the hydroperoxyl radical calculated by coupled cluster and density functional theories and multistructural variational transition-state theory with multidimensional tunneling
I M Alecu, Jingjing Zheng, Ewa Papajak, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 13, 2011
Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: the internal-coordinate multi-structural approximation
Jingjing Zheng, Tao Yu, Ewa Papajak, et al.
The Journal of Physical Chemistry. A
|
July 22, 2016
Pressure-Dependent Competition among Reaction Pathways from First- and Second-O2 Additions in the Low-Temperature Oxidation of Tetrahydrofuran
Ivan O Antonov, Judit Zádor, Brandon Rotavera, et al.
Biochemistry
|
May 10, 2006
Mechanism of the reaction catalyzed by DL-2-haloacid dehalogenase as determined from kinetic isotope effects
Ewa Papajak, Renata A Kwiecień, Juliusz Rudziński, et al.
Science (New York, N.Y.)
|
February 7, 2015
Carbon radicals. Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH)
John D Savee, Ewa Papajak, Brandon Rotavera, et al.
Faraday Discussions
|
June 13, 2017
Products of Criegee intermediate reactions with NO<sub>2</sub>: experimental measurements and tropospheric implications
Rebecca L Caravan, M Anwar H Khan, Brandon Rotavera, et al.
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of 2