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Bio
His area of research is applications-oriented theoretical quantum chemistry, which includes ab initio molecular orbital and density functional calculations of ground and excited potential energy surfaces (PES) for polyatomic molecules, radicals, and clusters with applications to combustion, atmospheric and interstellar chemistry, vibrational and electronic spectroscopy, and optical properties of nano-size materials. The calculations represent a valuable tool for prediction of various physico-chemical properties of molecules and radicals, reaction mechanisms, rate constants and product branching ratios, and for interpretation of experimental data.
Research Interests
Papers共 825 篇Author StatisticsCo-AuthorSimilar Experts
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FARADAY DISCUSSIONS (2024)
ANGEWANDTE CHEMIE-INTERNATIONAL EDITIONno. 5 (2024): e202315147-e202315147
Joshua H. Marks, Xilin Bai,Anatoliy A. Nikolayev, Qi'ang Gong,Cheng Zhu,N. Fabian Kleimeier,Andrew M. Turner,Santosh K. Singh,Jia Wang,Jiuzhong Yang,Yang Pan,Tao Yang,
JOURNAL OF THE AMERICAN CHEMICAL SOCIETYno. 17 (2024): 12174-12184
Zhenghai Yang, Chao He, Shane J. Goettl,Alexander M. Mebel, Paulo F. G. Velloso, Márcio O. Alves,Breno R. L. Galvão,Jean-Christophe Loison,Kevin M. Hickson, Michel Dobrijevic,Xiaohu Li,Ralf I. Kaiser
arxiv(2024)
Chemical Physics Letters (2024): 141077
CHEMICAL PHYSICS LETTERS (2024)
Physical Chemistry Chemical Physics (2024)
PHYSICAL CHEMISTRY CHEMICAL PHYSICSno. 7 (2024): 6448-6457
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