Titlebook: Supercomputer and Chemistry 2; debis Workshop 1990 Uwe Harms Conference proceedings 1991 Springer-Verlag Berlin Heidelberg 1991 Computatio

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书目名称Supercomputer and Chemistry 2影响因子(影响力)




书目名称Supercomputer and Chemistry 2影响因子(影响力)学科排名




书目名称Supercomputer and Chemistry 2网络公开度




书目名称Supercomputer and Chemistry 2网络公开度学科排名




书目名称Supercomputer and Chemistry 2被引频次




书目名称Supercomputer and Chemistry 2被引频次学科排名




书目名称Supercomputer and Chemistry 2年度引用




书目名称Supercomputer and Chemistry 2年度引用学科排名




书目名称Supercomputer and Chemistry 2读者反馈




书目名称Supercomputer and Chemistry 2读者反馈学科排名

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U. Harms ocean floor well off the continental shelf. It is located at the transition zone between two major biologic provinces, at a latitude where the Pacific Current turns westward to form the north Pacific trans-oceanic current. In spite of its obvious importance for biogeographical studies, the remotene

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U. Harmsnsite 10-15 February 1993. Since most of the Rocas Alijos site is subtidal, much of the examination and specimen collection was done by scuba, although several remote sampling techniques were also used. The exposed rocks were sampled by climbers, and megafauna were observed from shipboard.

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Long Time Dynamics of Proteins: an off-Lattice Monte Carlo Method,tein backbone. By relating time with the number of scans of the window along the protein backbone one can evaluate time correlation functions. The end-to-end distance autocorrelation function decays in about 10.-10. scans of the window algorithm. Even in the absence of non-bonded interactions the ti

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W. Straßburger,W. Winter,G. J. Steffens,W. A. Günzler,L. Flohé

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Quantum Mechanical Calculations of Small Molecules,The importance of quantum mechanical calculations as a predictive and analytical tool for chemical research is demonstrated by discussing several research projects of our group.

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The Direct IGLO Method for the Calculation of NMR Chemical Shifts with the Program TURBOMOLE,The IGLO method for the “ab initio” calculation of NMR chemical shifts is programmed using the two electron integral features of the program package TURBOMOLE. A data flow, optimized implementation on supercomputers makes calculations for large (N≤ 1000 Gaussian basis functions) possible by replacing disk I/O by direct and parallel calculations.