Titlebook: Recent Experimental and Computational Advances in Molecular Spectroscopy; R. Fausto Book 1993 Springer Science+Business Media Dordrecht 19

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The Physics of an Atom in a Molecule,erived from a single dynamical principle. This principle, as formulated by Schwinger and stated in the form of a variation of the action integral operator, provides the basis for the extension of quantum mechanics to an open system, a real fragment of some total system. It is found that the smallest

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Application of the CI-Singles Method in Predicting the Energy, Properties, and Reactivity of Molecudehyde, vibrational frequencies of n-π* excited acrolein, and excited state potential energy curves for breaking σ and π bonds. These examples are also used to discuss the practical aspects of CIS calculations.

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Imre G. Csizmadiastrand it adopts a secondary structure. Chargaff’s first parity rule for duplex DNA was consistent with the Watson-Crick idea of a base in one strand of the duplex pairing with a complementary base in the other strand of the duplex (.strand base pairing), thus stabilizing the secondary structure (Fi

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