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• W1978125878 abstract "Small molybdenum clusters up to the tetramer are investigated within the framework of the density functional theory. Both the geometry and the spin state are optimized for the dimer, trimer, and the tetramer. Moreover, all those calculations are followed by a vibrational analysis to discriminate between real minima and saddle points on the potential energy surfaces. Several low-lying excited states are found to be stable after the vibrational analysis. Equilibrium geometries, electronic configurations, binding energies, magnetic moments, and harmonic frequencies of the stable conformers are reported. © 1999 John Wiley & Sons, Inc. Int J Quant Chem 76: 105–112, 2000" @default.
• W1978125878 created "2016-06-24" @default.
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• W1978125878 date "2000-01-01" @default.
• W1978125878 modified "2023-10-07" @default.
• W1978125878 title "Density functional study of small molybdenum clusters" @default.
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• W1978125878 doi "https://doi.org/10.1002/(sici)1097-461x(2000)76:1<105::aid-qua10>3.0.co;2-e" @default.
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