Mathematical and Computational Studies in Quantum Chemistry

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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.