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My training is in electronic structure theory and I have extensive experience in both the development of theoretical methods and the application of these to fundamental problems of interest to various parts of NASA. Currently, most of my work is in the application of electronic structure methods to three areas:
the calculation of highly accurate rovibrational spectra of small molecules of interest to astronomy and astrophysics, such as the ammonia, CCH-, NH2-, and HO2+ molecules;
the calculation of the vertical electronic absorption or emission process in polycyclic aromatic hydrocarbons (PAHs), neutrals, cations, anions, and other derivatives, such as nitrogen substituted PAHs (PANHs), or PAH clusters; and
the investigation of the properties of molecules of interest in atmospheres (including Earth) such as chemical stability, thermal stability, spectroscopy (both rovibrational and electronic), Ozone Depletion Potentials (ODPs), Global Warming Potentials (GWPs), etc.
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论文共 483 篇作者统计合作学者相似作者
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Olivier Berné,Emilie Habart,Els Peeters,Ilane Schroetter,Amélie Canin, Ameek Sidhu,Ryan Chown, Emeric Bron,Thomas J Haworth,Pamela Klaassen,Boris Trahin,Dries Van De Putte,
Science (New York, N.Y.)no. 6686 (2024): 988-992
The Astrophysical Journal Supplement Seriesno. 1 (2024): 17
Emilie Habart,Els Peeters,Olivier Berné,Boris Trahin, Amélie Canin,Ryan Chown,Ameek Sidhu,Dries Van De Putte,Felipe Alarcón,Ilane Schroetter,Emmanuel Dartois, Sílvia Vicente,
Astronomy and Astrophysics (2023)
Els Peeters,Emilie Habart,Olivier Berne,Ameek Sidhu,Ryan Chown,Dries Van De Putte, Boris Trahin,Ilane Schroetter, Amelie Canin,Felipe Alarcon,Bethany Schefter,Baria Khan,
arXiv (Cornell University) (2023)
Faraday Discussionsno. 0 (2023): 380-390
arXiv (Cornell University) (2023)
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