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Research Interests: Developing theoretical methods for predicting the kinetics and dynamics of gas phase reactions and applying them to interesting problems in combustion, interstellar, and atmospheric chemistry. Our studies typically involve some combination of electronic structure calculations, transition state theory, trajectory simulations, and master equation modeling. One focus of our work involves exploring and improving the accuracy of such calculations. Another focus involves the use of such methods to understand novel experimental observations and to improve global models for the chemistry of complex environments. Recently, we have begun automating our computational procedures in order to utilize leadership class computing facilities for the in silico development of global chemical models.
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论文共 413 篇作者统计合作学者相似作者
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The journal of physical chemistry. Ano. 3 (2024): 501-502
The journal of physical chemistry. Ano. 50 (2023): 10647-10662
JOURNAL OF THE AMERICAN CHEMICAL SOCIETYno. 35 (2023): 19405-19420
The journal of physical chemistry. Ano. 41 (2023): 8650-8662
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JOURNAL OF PHYSICAL CHEMISTRY Ano. 17 (2023): 3737-3742
JOURNAL OF PHYSICAL CHEMISTRY Ano. 43 (2023): 8994-9002
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The journal of physical chemistry. A (2023)
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