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• W4254435478 abstract "Theoretical Chemistry in China can roughly be classified into three stages, the null stage before 1949, the building-up stage between 1950s and 1990s, and the booming stage since late 1990s. Before the People's Republic of China was established in 1949, there was even no teaching on theoretical chemistry in China in whatever sense, needless to say research, due to chaos caused by 100 long years of civil wars and foreign occupations. The situation started to change after Auqing Tang (1915–2008; Ph. D from Columbia University in 1949) came back to China in 1950. He taught atomic electronic structure and mathematics in the Department of Chemistry at Peking University between 1950 and 1952. He moved to Northeast People's University (now Jilin University) in 1953 and there taught quantum mechanics, statistics, and dynamics, and so fortrh. In 1954, he published a paper on potential functions of intramolecular rotations, which was the first work from Chinese theoretical chemists and was quickly recognized by international peers although it was actually published in a Chinese journal, Science in China. Between 1963 and 1965, Auqing Tang organized and supervised a two-year learning and studying class on matter structure, focusing especially on group theory and quantum mechanics. Although the number of registered participants was only eight (six of them became elected members of the Chinese Academy of Sciences in the beginning of 1990s), they quickly and intelligently made significant contributions to ligand field theory, a very popular topic in the 1960s. The second major topic chosen by these pioneers was graph theory of conjugated molecular systems. Their series of papers published in 1970s and 1980s were recognized as significant contributions to chemical graph theory from the Chinese school. The pioneers' works on accurate theory of few-body systems, valence bond theory, particle-hole symmetry based configuration interaction, bonding rules of lanthanides, and mechanisms of photochemical reactions performed in 1980s and 1990s were characteristic contributions to modern quantum chemistry. Yet, theoretical chemistry in China started to boom only since the late 1990s, when the students of the pioneers came into their own. They have much wider knowledge and have been contributing to essentially all topics of modern theoretical chemistry, such as new relativistic Hamiltonians, new parametrizations of wave functions and density functionals, new approaches for quantitative reaction dynamics as well as electronic and rovibrational spectroscopies of gaseous and condensed systems, new coarse-grained force fields and sampling techniques, efficient algorithms and software for large and extended systems, rational design of functional materials, massive applications, and so on. Some of these developments are collected in this special issue series. However, even three special issues cannot fully display the whole spectrum of theoretical chemistry in China, recalling that there are usually 1200 participants in the triennial Congress of National Quantum Chemistry. Yet, opposite to the fast advance of theoretical chemistry in China, its academic recognition has in the last two decades been lowered instead of increased in the domestic community of chemistry. The very reason is that impact factor and citation index have been highly weighted, essentially in all kinds of evaluations. Nonetheless, it has been a consensus among theoretical chemists in China: we shall keep marching onwards! Finally, we would like to acknowledge Dr. Matteo Cavalleri for proposing this special issue and for his patience during the completion of the manuscripts. Wenjian Liu and Weihai Fang" @default.
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• W4254435478 date "2015-04-13" @default.
• W4254435478 modified "2023-09-25" @default.
• W4254435478 title "Concluding remarks" @default.
• W4254435478 doi "https://doi.org/10.1002/qua.24896" @default.
• W4254435478 hasPublicationYear "2015" @default.
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