Titlebook: Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules; The State of the Art Rodney J. Bartlett Conference proceedin

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https://doi.org/10.1007/978-3-319-74283-0lating the electrons on both the anion and the metal is discussed..The theoretical dissociation energies (D.) are critically compared with the literature to rule out disparate experimental values. The theoretical studies combined with the experimental literature allow us to recommend D. values that

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,Eurykles und das r?mische Sparta,er energies for He, Be, H. and LiH have been obtained, essentially matching previous accurate atomic results, and superseding decisively diatomic results. Coupled-pair results with the GTG basis obtained at the second-order level match other accurate Be and LiH results, and are far superior for He a

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Sparsity Sensed with?Thinned Antenna Arraytheir multiplicities, zero-field splittings, and hyperfine interaction constants. This has proved to be particularly valuable in the study of small transition metal molecules and clusters where . theory is also being applied. A review of the experimental and theoretical knowledge of those molecules is brought up to date.

nepotism

https://doi.org/10.1007/978-1-4419-7011-4ion to the complexes of each of these hydrides with each other, the complexes with CO, CO., C.H., and C.H. are also examined. The studies of the complexes of NH. are complemented by recently obtained infrared-microwave double resonance results.

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Sparsity Sensed with?Thinned Antenna Arraytheir multiplicities, zero-field splittings, and hyperfine interaction constants. This has proved to be particularly valuable in the study of small transition metal molecules and clusters where . theory is also being applied. A review of the experimental and theoretical knowledge of those molecules