Mathematical and Computational Studies in Quantum Chemistry

这个由Rudjer Boskovic研究所的Nenad Trinajstic和位于加尔维斯顿的德克萨斯农工大学的Douglas J. Klein参与的为期三年的美国-南斯拉夫理论有机化学合作研究项目的目标是通过应用量子化学模型来研究新型分子系统的电子结构和性质。研究人员将把他们在图论中的概念模型扩展到元素碳团簇、高自旋碳氢化合物、聚合物和高温超导体（无机钙钛矿）。此次合作结合了Trinajstic博士在化学图论和理论有机化学方面的互补专业知识，以及Klein博士在量子和计算化学方面的专业知识。该项目得到了美国-南斯拉夫科学技术合作联合委员会的批准，并通过一个由美国和南斯拉夫政府对等捐款组成的联合基金得到支持。美国的捐款每年由国务院提供。没有涉及NSF基金。除了为美国科学家旅行提供的资金外，该奖项全部授予了这家南斯拉夫机构。NSF推进科学知识的目标是通过南斯拉夫和美国科学家的共同努力来促进的。

The objective of this three-year U.S.-Yugoslav cooperative research project in theoretical organic chemistry between Nenad Trinajstic of the Rudjer Boskovic Institute and Douglas J. Klein of Texas A&M University at Galveston is to investigate the electronic structure and properties of novel molecular systems by applying quantum chemical models. The investigators will extend their conceptual models in graph theory to elemental carbon clusters, high spin hydrocarbons, polymers and high temperature superconductors (inorganic perovskites). The collaborative effort combines the complementary expertise of Dr. Trinajstic in chemical graph theory and theoretical organic chemistry and Dr. Klein's expertise in quantum and computational chemistry. This project was approved by the U.S.-Yugoslav Joint Board on Cooperation in Science and Technology and is supported through a joint fund consisting of matching contributions from the U.S. and Yugoslav governments. The U.S. contribution is provided annually by the Department of State. No NSF funds are involved. The award, except for funds for U.S. scientist travel, is made to the Yugoslav institution. NSF's goal of advancing scientific knowledge is promoted through the joint efforts of the Yugoslav and U.S. scientists.