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Semiempirical calculations can be run on computers using readily available programs such as MOPAC. It is possible to use MOPAC for research...
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Jan K. Labanowski, Ohio Supercomputer Center, 1224 Kinnear Rd., Columbus, OH 43212-1163, E-mail: jkl@ccl.net, JKL@OHSTPY.BITNET ...
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V.I. Tselyaev Abstract The Numero vmethod for linear second-order di&erential equations is generalized to include equations contain...
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A hydrogen atom is an atom of the chemical element hydrogen . It is composed of a single negatively-charged electron circling a single po...
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Hiroyuki Nakashima and Hiroshi Nakatsuji a) Quantum Chemistry Research Institute , Kyodai Katsura Venture Plaza 106, Goryo Oohara 1...
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N.H. March Theoretical Chemistry Department, University of Oxford, 5 South Parks Road, Oxford OX1 3UB UK Received 30 October 1991, Availab...
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The discussion of chemical bonding in the main text depends on the description of molecular orbitals as linear combinations of atomic orbita...
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