俞汝勤报告-2015分析化学年会终稿.pptVIP

建立物理和化学的数学理论问题今天已经解决？ Dirac 1929写道，对大部份物理和整个化学的数学理论所需的相关规律今天都已建立，困难只是将这些相关规律的数学理论解决实际问题得出的公式会太复杂难以求解。 Dirac (1929) said: The underlying laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that exact applications of these laws lead to equations which are too complicated to be soluble. Dirac, P.A.M. 1929. Quantum Mechanics of Many-Electron Systems. Proceedings of the Royal Society of London A123: 714–733. Cited from J. van Brakel, K.U. Leuven, in:” PHILOSOPHY OF CHEMISTRY” 从1929 到今天计算机科学已解决余下的问题？ 化学作为真正的科学仍处在发展阶段 理论化学家Frenking指出， 从1927以来，化学实现了革命性的变化，揭示了几乎所有化学现象诸如化学键等的机制。但化学作为真正的科学仍处在发展阶段，因为许多化学现象的量子化学研究仍处在萌芽阶段。 Frenking (1998, 106–107), a theoretical chemist, says: Chemistry would become revolutionised in 1927, now that the very basis of all chemical phenomena, i.e. the chemical bonding, was understood for the first time. Chemistry as true science is still in a developing stage because quantum chemical research of the many chemical phenomena is still in an infant stage. Frenking, G. 1998. In:, The Autonomy of Chemistry: 3rd Erlenmeyer-Colloquy for the Philosophy of Chemistry,103–108. 化学已经成为康德意义上的科学 Mainzer 指出，化学已经成为康德意义上的科学，因为它应用愈来愈多的数学：化学已进入愈来愈复杂的数学方法与计算机网络系统。这样，化学的确是一门康德意义上的科学，只是它的前沿发生了变化。 Mainzer pointed out that chemistry has become a science in the sense of Kant, because it uses ever more mathematics: Chemistry is involved in a growing network of mathematical methodologies and computer-assisted technologies with increasing complexity. Thus chemistry, is a science in the sense of Kant, but with changing frontiers Mainzer, K. 1998. Computational and Mathematical Models in Chemistry: Epistemic Foundations and New Perspectives of Research,3rd Erlenmeyer-Colloquy for the Philosophy of Chemistry. Wurzburg: Konigshausen Neumann,33–50. 化学作为成熟的科学的学科自信 化学计量学、计算化学等方向的兴起表明，包括分析化学在内的现代化