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Titlebook: Computational Theoretical Organic Chemistry; Proceedings of the N I. G. Csizmadia,R. Daudel Conference proceedings 1981 D. Reidel Publishin

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https://doi.org/10.1007/978-94-009-8472-1Isomer; chemistry; molecule; organic chemistry; photochemistry; reactions; theoretical chemistry
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Nato Science Series C:http://image.papertrans.cn/c/image/233190.jpg
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Single- and Multi-Configuration Self Consistent Field Methods,sistent field theory(SCF). Today one can routinely perform SCF calculations on stable closed shell systems and many open shell systems where the wavefunction is well represented by a single configuration of electrons distributed among a set of MO.
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A Numerical Approach for Finding Stationary Points and for Computing Force Constant Matrices: The Eder to locate a stationary point. Further they let us enable to perform the vibrational and the thermodyna-mical analysis..As all the available programs and methods are not implemented for performing those computations we propose here a purely numerical approach.
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